Identification

Name
Colforsin
Accession Number
DB02587  (EXPT01467)
Type
Small Molecule
Groups
Experimental
Description

Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.

Structure
Thumb
Synonyms
  • 7β-acetoxy-8,13-epoxy-1α,6β,9α-trihydroxylabd-14-en-11-one
  • Coleonolk
  • colforsina
  • colforsine
  • colforsinum
  • Forskolin
External IDs
266-410-9 / HL-362 / L-75-1362B / NSC-357088 / NSC-375489
Categories
UNII
1F7A44V6OU
CAS number
66575-29-9
Weight
Average: 410.5012
Monoisotopic: 410.230453442
Chemical Formula
C22H34O7
InChI Key
OHCQJHSOBUTRHG-KGGHGJDLSA-N
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
IUPAC Name
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate
SMILES
[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UAdenylate cyclase type 2Not AvailableHuman
UGuanine nucleotide-binding protein G(s) subunit alpha isoforms shortNot AvailableHuman
UAdenylate cyclase type 5Not AvailableHuman
UCystic fibrosis transmembrane conductance regulator
inhibitor
Human
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with Colforsin.Approved
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Colforsin.Approved
Acetylsalicylic acidThe serum concentration of Acetylsalicylic acid can be increased when it is combined with Colforsin.Approved, Vet Approved
AfatinibThe serum concentration of Afatinib can be increased when it is combined with Colforsin.Approved
AldosteroneThe serum concentration of Aldosterone can be increased when it is combined with Colforsin.Experimental
AlitretinoinThe serum concentration of Alitretinoin can be increased when it is combined with Colforsin.Approved, Investigational
AmbrisentanThe serum concentration of Ambrisentan can be increased when it is combined with Colforsin.Approved, Investigational
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with Colforsin.Approved
ApixabanThe serum concentration of Apixaban can be increased when it is combined with Colforsin.Approved
Arsenic trioxideThe serum concentration of Arsenic trioxide can be increased when it is combined with Colforsin.Approved, Investigational
AtazanavirThe serum concentration of Atazanavir can be increased when it is combined with Colforsin.Approved, Investigational
AtenololThe serum concentration of Atenolol can be increased when it is combined with Colforsin.Approved
AxitinibThe serum concentration of Axitinib can be increased when it is combined with Colforsin.Approved, Investigational
BelinostatThe serum concentration of Belinostat can be increased when it is combined with Colforsin.Approved, Investigational
BetamethasoneThe serum concentration of Betamethasone can be increased when it is combined with Colforsin.Approved, Vet Approved
BoceprevirThe serum concentration of Boceprevir can be increased when it is combined with Colforsin.Withdrawn
BosutinibThe serum concentration of Bosutinib can be increased when it is combined with Colforsin.Approved
Brentuximab vedotinThe serum concentration of Brentuximab vedotin can be increased when it is combined with Colforsin.Approved
BromocriptineThe serum concentration of Bromocriptine can be increased when it is combined with Colforsin.Approved, Investigational
CabazitaxelThe serum concentration of Cabazitaxel can be increased when it is combined with Colforsin.Approved
CaffeineThe serum concentration of Caffeine can be increased when it is combined with Colforsin.Approved
CamptothecinThe serum concentration of Camptothecin can be increased when it is combined with Colforsin.Experimental
CanagliflozinThe serum concentration of Canagliflozin can be increased when it is combined with Colforsin.Approved
CarbamazepineThe serum concentration of Carbamazepine can be increased when it is combined with Colforsin.Approved, Investigational
CarfilzomibThe serum concentration of Carfilzomib can be increased when it is combined with Colforsin.Approved
CeritinibThe serum concentration of Ceritinib can be increased when it is combined with Colforsin.Approved
CerivastatinThe serum concentration of Cerivastatin can be increased when it is combined with Colforsin.Withdrawn
ChlorpromazineThe serum concentration of Chlorpromazine can be increased when it is combined with Colforsin.Approved, Vet Approved
CimetidineThe serum concentration of Cimetidine can be increased when it is combined with Colforsin.Approved
CiprofloxacinThe serum concentration of Ciprofloxacin can be increased when it is combined with Colforsin.Approved, Investigational
CisplatinThe serum concentration of Cisplatin can be increased when it is combined with Colforsin.Approved
CitalopramThe serum concentration of Citalopram can be increased when it is combined with Colforsin.Approved
ClarithromycinThe serum concentration of Clarithromycin can be increased when it is combined with Colforsin.Approved
ClobazamThe serum concentration of Clobazam can be increased when it is combined with Colforsin.Approved, Illicit
ClomifeneThe serum concentration of Clomifene can be increased when it is combined with Colforsin.Approved, Investigational
ClonidineThe serum concentration of Clonidine can be increased when it is combined with Colforsin.Approved
ClopidogrelThe serum concentration of Clopidogrel can be increased when it is combined with Colforsin.Approved, Nutraceutical
ClozapineThe serum concentration of Clozapine can be increased when it is combined with Colforsin.Approved
CobimetinibThe serum concentration of Cobimetinib can be increased when it is combined with Colforsin.Approved
ColchicineThe serum concentration of Colchicine can be increased when it is combined with Colforsin.Approved
Conjugated estrogensThe serum concentration of Conjugated estrogens can be increased when it is combined with Colforsin.Approved
CopanlisibThe serum concentration of Copanlisib can be increased when it is combined with Colforsin.Approved
CrizotinibThe serum concentration of Crizotinib can be increased when it is combined with Colforsin.Approved
CyclosporineThe serum concentration of Cyclosporine can be increased when it is combined with Colforsin.Approved, Investigational, Vet Approved
Dabigatran etexilateThe serum concentration of the active metabolites of Dabigatran etexilate can be increased when Dabigatran etexilate is used in combination with Colforsin.Approved
DabrafenibThe serum concentration of Dabrafenib can be increased when it is combined with Colforsin.Approved
DactinomycinThe serum concentration of Dactinomycin can be increased when it is combined with Colforsin.Approved
DapagliflozinThe serum concentration of Dapagliflozin can be increased when it is combined with Colforsin.Approved
DasatinibThe serum concentration of Dasatinib can be increased when it is combined with Colforsin.Approved, Investigational
DaunorubicinThe serum concentration of Daunorubicin can be increased when it is combined with Colforsin.Approved
DebrisoquinThe serum concentration of Debrisoquin can be increased when it is combined with Colforsin.Approved
DexamethasoneThe serum concentration of Dexamethasone can be increased when it is combined with Colforsin.Approved, Investigational, Vet Approved
DiazepamThe serum concentration of Diazepam can be increased when it is combined with Colforsin.Approved, Illicit, Vet Approved
DiethylstilbestrolThe serum concentration of Diethylstilbestrol can be increased when it is combined with Colforsin.Approved
DigitoxinThe serum concentration of Digitoxin can be increased when it is combined with Colforsin.Approved
DigoxinThe serum concentration of Digoxin can be increased when it is combined with Colforsin.Approved
DihydrotestosteroneThe serum concentration of Dihydrotestosterone can be increased when it is combined with Colforsin.Illicit
DiltiazemThe serum concentration of Diltiazem can be increased when it is combined with Colforsin.Approved
DipyridamoleThe serum concentration of Dipyridamole can be increased when it is combined with Colforsin.Approved
DocetaxelThe serum concentration of Docetaxel can be increased when it is combined with Colforsin.Approved, Investigational
DomperidoneThe serum concentration of Domperidone can be increased when it is combined with Colforsin.Approved, Investigational, Vet Approved
DoxorubicinThe serum concentration of Doxorubicin can be increased when it is combined with Colforsin.Approved, Investigational
EdoxabanThe serum concentration of Edoxaban can be increased when it is combined with Colforsin.Approved
ElbasvirThe serum concentration of Elbasvir can be increased when it is combined with Colforsin.Approved
EletriptanThe serum concentration of Eletriptan can be increased when it is combined with Colforsin.Approved, Investigational
EnasidenibThe serum concentration of Enasidenib can be increased when it is combined with Colforsin.Approved
EpinastineThe serum concentration of Epinastine can be increased when it is combined with Colforsin.Approved, Investigational
ErlotinibThe serum concentration of Erlotinib can be increased when it is combined with Colforsin.Approved, Investigational
ErythromycinThe serum concentration of Erythromycin can be increased when it is combined with Colforsin.Approved, Vet Approved
EstradiolThe serum concentration of Estradiol can be increased when it is combined with Colforsin.Approved, Investigational, Vet Approved
EstriolThe serum concentration of Estriol can be increased when it is combined with Colforsin.Approved, Vet Approved
EstroneThe serum concentration of Estrone can be increased when it is combined with Colforsin.Approved
Ethinyl EstradiolThe serum concentration of Ethinyl Estradiol can be increased when it is combined with Colforsin.Approved
EtoposideThe serum concentration of Etoposide can be increased when it is combined with Colforsin.Approved
EverolimusThe serum concentration of Everolimus can be increased when it is combined with Colforsin.Approved
EzetimibeThe serum concentration of Ezetimibe can be increased when it is combined with Colforsin.Approved
FesoterodineThe serum concentration of Fesoterodine can be increased when it is combined with Colforsin.Approved
FexofenadineThe serum concentration of Fexofenadine can be increased when it is combined with Colforsin.Approved
FidaxomicinThe serum concentration of Fidaxomicin can be increased when it is combined with Colforsin.Approved
Fluticasone furoateThe serum concentration of Fluticasone furoate can be increased when it is combined with Colforsin.Approved
GefitinibThe serum concentration of Gefitinib can be increased when it is combined with Colforsin.Approved, Investigational
GemcitabineThe serum concentration of Gemcitabine can be increased when it is combined with Colforsin.Approved
GlecaprevirThe serum concentration of Glecaprevir can be increased when it is combined with Colforsin.Approved
GrazoprevirThe serum concentration of Grazoprevir can be increased when it is combined with Colforsin.Approved
GrepafloxacinThe serum concentration of Grepafloxacin can be increased when it is combined with Colforsin.Withdrawn
HaloperidolThe serum concentration of Haloperidol can be increased when it is combined with Colforsin.Approved
HydrocortisoneThe serum concentration of Hydrocortisone can be increased when it is combined with Colforsin.Approved, Vet Approved
IbuprofenThe serum concentration of Ibuprofen can be increased when it is combined with Colforsin.Approved
IdelalisibThe serum concentration of Idelalisib can be increased when it is combined with Colforsin.Approved
ImatinibThe serum concentration of Imatinib can be increased when it is combined with Colforsin.Approved
ImipramineThe serum concentration of Imipramine can be increased when it is combined with Colforsin.Approved
IndacaterolThe serum concentration of Indacaterol can be increased when it is combined with Colforsin.Approved
IndinavirThe serum concentration of Indinavir can be increased when it is combined with Colforsin.Approved
IndomethacinThe serum concentration of Indomethacin can be increased when it is combined with Colforsin.Approved, Investigational
Inotuzumab ozogamicinThe serum concentration of Inotuzumab ozogamicin can be increased when it is combined with Colforsin.Approved
IrinotecanThe serum concentration of Irinotecan can be increased when it is combined with Colforsin.Approved, Investigational
IvermectinThe serum concentration of Ivermectin can be increased when it is combined with Colforsin.Approved, Vet Approved
KetazolamThe serum concentration of Ketazolam can be increased when it is combined with Colforsin.Approved
KetoconazoleThe serum concentration of Ketoconazole can be increased when it is combined with Colforsin.Approved, Investigational
LamivudineThe serum concentration of Lamivudine can be increased when it is combined with Colforsin.Approved, Investigational
LamotrigineThe serum concentration of Lamotrigine can be increased when it is combined with Colforsin.Approved, Investigational
LansoprazoleThe serum concentration of Lansoprazole can be increased when it is combined with Colforsin.Approved, Investigational
LedipasvirThe serum concentration of Ledipasvir can be increased when it is combined with Colforsin.Approved
LenalidomideThe serum concentration of Lenalidomide can be increased when it is combined with Colforsin.Approved
LenvatinibThe serum concentration of Lenvatinib can be increased when it is combined with Colforsin.Approved
LevetiracetamThe serum concentration of Levetiracetam can be increased when it is combined with Colforsin.Approved, Investigational
LevofloxacinThe serum concentration of Levofloxacin can be increased when it is combined with Colforsin.Approved, Investigational
LevomilnacipranThe serum concentration of Levomilnacipran can be increased when it is combined with Colforsin.Approved
LinagliptinThe serum concentration of Linagliptin can be increased when it is combined with Colforsin.Approved
LoperamideThe serum concentration of Loperamide can be increased when it is combined with Colforsin.Approved
LosartanThe serum concentration of Losartan can be increased when it is combined with Colforsin.Approved
MannitolThe serum concentration of Mannitol can be increased when it is combined with Colforsin.Approved, Investigational
MethotrexateThe serum concentration of Methotrexate can be increased when it is combined with Colforsin.Approved
MethylprednisoloneThe serum concentration of Methylprednisolone can be increased when it is combined with Colforsin.Approved, Vet Approved
MetoprololThe serum concentration of Metoprolol can be increased when it is combined with Colforsin.Approved, Investigational
MidazolamThe serum concentration of Midazolam can be increased when it is combined with Colforsin.Approved, Illicit
MirabegronThe serum concentration of Mirabegron can be increased when it is combined with Colforsin.Approved
MitoxantroneThe serum concentration of Mitoxantrone can be increased when it is combined with Colforsin.Approved, Investigational
MorphineThe serum concentration of Morphine can be increased when it is combined with Colforsin.Approved, Investigational
Mycophenolate mofetilThe serum concentration of Mycophenolate mofetil can be increased when it is combined with Colforsin.Approved, Investigational
NadololThe serum concentration of Nadolol can be increased when it is combined with Colforsin.Approved
NaloxegolThe serum concentration of Naloxegol can be increased when it is combined with Colforsin.Approved
NaloxoneThe serum concentration of Naloxone can be increased when it is combined with Colforsin.Approved, Vet Approved
NelfinavirThe serum concentration of Nelfinavir can be increased when it is combined with Colforsin.Approved
NicardipineThe serum concentration of Nicardipine can be increased when it is combined with Colforsin.Approved
NifedipineThe serum concentration of Nifedipine can be increased when it is combined with Colforsin.Approved
NilotinibThe serum concentration of Nilotinib can be increased when it is combined with Colforsin.Approved, Investigational
NintedanibThe serum concentration of Nintedanib can be increased when it is combined with Colforsin.Approved
NizatidineThe serum concentration of Nizatidine can be increased when it is combined with Colforsin.Approved
OdanacatibThe serum concentration of Odanacatib can be increased when it is combined with Colforsin.Investigational
OlanzapineThe serum concentration of Olanzapine can be increased when it is combined with Colforsin.Approved, Investigational
OmbitasvirThe serum concentration of Ombitasvir can be increased when it is combined with Colforsin.Approved
OsimertinibThe serum concentration of Osimertinib can be increased when it is combined with Colforsin.Approved
PaclitaxelThe serum concentration of Paclitaxel can be increased when it is combined with Colforsin.Approved, Vet Approved
PanobinostatThe serum concentration of Panobinostat can be increased when it is combined with Colforsin.Approved, Investigational
PazopanibThe serum concentration of Pazopanib can be increased when it is combined with Colforsin.Approved
PhenobarbitalThe serum concentration of Phenobarbital can be increased when it is combined with Colforsin.Approved
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Colforsin.Approved, Vet Approved
PibrentasvirThe serum concentration of Pibrentasvir can be increased when it is combined with Colforsin.Approved
PitavastatinThe serum concentration of Pitavastatin can be increased when it is combined with Colforsin.Approved
PomalidomideThe serum concentration of Pomalidomide can be increased when it is combined with Colforsin.Approved
PonatinibThe serum concentration of Ponatinib can be increased when it is combined with Colforsin.Approved
PravastatinThe serum concentration of Pravastatin can be increased when it is combined with Colforsin.Approved
PrazosinThe serum concentration of Prazosin can be increased when it is combined with Colforsin.Approved
PrednisoloneThe serum concentration of Prednisolone can be increased when it is combined with Colforsin.Approved, Vet Approved
PrednisoneThe serum concentration of Prednisone can be increased when it is combined with Colforsin.Approved, Vet Approved
ProgesteroneThe serum concentration of Progesterone can be increased when it is combined with Colforsin.Approved, Vet Approved
PropranololThe serum concentration of Propranolol can be increased when it is combined with Colforsin.Approved, Investigational
PrucaloprideThe serum concentration of Prucalopride can be increased when it is combined with Colforsin.Approved
QuetiapineThe serum concentration of Quetiapine can be increased when it is combined with Colforsin.Approved
QuinidineThe serum concentration of Quinidine can be increased when it is combined with Colforsin.Approved
QuinineThe serum concentration of Quinine can be increased when it is combined with Colforsin.Approved
RanitidineThe serum concentration of Ranitidine can be increased when it is combined with Colforsin.Approved
RanolazineThe serum concentration of Ranolazine can be increased when it is combined with Colforsin.Approved, Investigational
ReserpineThe serum concentration of Reserpine can be increased when it is combined with Colforsin.Approved
RifampicinThe serum concentration of Rifampicin can be increased when it is combined with Colforsin.Approved
RifaximinThe serum concentration of Rifaximin can be increased when it is combined with Colforsin.Approved, Investigational
RisperidoneThe serum concentration of Risperidone can be increased when it is combined with Colforsin.Approved, Investigational
RitonavirThe serum concentration of Ritonavir can be increased when it is combined with Colforsin.Approved, Investigational
RivaroxabanThe serum concentration of Rivaroxaban can be increased when it is combined with Colforsin.Approved
RomidepsinThe serum concentration of Romidepsin can be increased when it is combined with Colforsin.Approved, Investigational
Salicylic acidThe serum concentration of Salicylic acid can be increased when it is combined with Colforsin.Approved, Vet Approved
SaquinavirThe serum concentration of Saquinavir can be increased when it is combined with Colforsin.Approved, Investigational
SelexipagThe serum concentration of Selexipag can be increased when it is combined with Colforsin.Approved
SilodosinThe serum concentration of Silodosin can be increased when it is combined with Colforsin.Approved
SimeprevirThe serum concentration of Simeprevir can be increased when it is combined with Colforsin.Approved
SitagliptinThe serum concentration of Sitagliptin can be increased when it is combined with Colforsin.Approved, Investigational
SofosbuvirThe serum concentration of Sofosbuvir can be increased when it is combined with Colforsin.Approved
SorafenibThe serum concentration of Sorafenib can be increased when it is combined with Colforsin.Approved, Investigational
SparfloxacinThe serum concentration of Sparfloxacin can be increased when it is combined with Colforsin.Approved
SphingosineThe serum concentration of Sphingosine can be increased when it is combined with Colforsin.Experimental
TacrolimusThe serum concentration of Tacrolimus can be increased when it is combined with Colforsin.Approved, Investigational
TamoxifenThe serum concentration of Tamoxifen can be increased when it is combined with Colforsin.Approved
Taurocholic AcidThe serum concentration of Taurocholic Acid can be increased when it is combined with Colforsin.Experimental
Technetium Tc-99m sestamibiThe serum concentration of Technetium Tc-99m sestamibi can be increased when it is combined with Colforsin.Approved
TelaprevirThe serum concentration of Telaprevir can be increased when it is combined with Colforsin.Withdrawn
TemsirolimusThe serum concentration of Temsirolimus can be increased when it is combined with Colforsin.Approved
TicagrelorThe serum concentration of Ticagrelor can be increased when it is combined with Colforsin.Approved
TimololThe serum concentration of Timolol can be increased when it is combined with Colforsin.Approved
TolvaptanThe serum concentration of Tolvaptan can be increased when it is combined with Colforsin.Approved
TopotecanThe serum concentration of Topotecan can be increased when it is combined with Colforsin.Approved, Investigational
ToremifeneThe serum concentration of Toremifene can be increased when it is combined with Colforsin.Approved, Investigational
Trastuzumab emtansineThe serum concentration of Trastuzumab emtansine can be increased when it is combined with Colforsin.Approved
UlipristalThe serum concentration of Ulipristal can be increased when it is combined with Colforsin.Approved
UmeclidiniumThe serum concentration of Umeclidinium can be increased when it is combined with Colforsin.Approved
VecuroniumThe serum concentration of Vecuronium can be increased when it is combined with Colforsin.Approved
VelpatasvirThe serum concentration of Velpatasvir can be increased when it is combined with Colforsin.Approved
VenetoclaxThe serum concentration of Venetoclax can be increased when it is combined with Colforsin.Approved
VenlafaxineThe serum concentration of Venlafaxine can be increased when it is combined with Colforsin.Approved
VerapamilThe serum concentration of Verapamil can be increased when it is combined with Colforsin.Approved
VinblastineThe serum concentration of Vinblastine can be increased when it is combined with Colforsin.Approved
VincristineThe serum concentration of Vincristine can be increased when it is combined with Colforsin.Approved, Investigational
VismodegibThe serum concentration of Vismodegib can be increased when it is combined with Colforsin.Approved
VoxilaprevirThe serum concentration of Voxilaprevir can be increased when it is combined with Colforsin.Approved
ZidovudineThe serum concentration of Zidovudine can be increased when it is combined with Colforsin.Approved
Food Interactions
Not Available

References

Synthesis Reference

Emiko Yamasaki, Takaaki Ohkuma, "Lyophilized preparation of 6-(3-dimethylaminopropionyl)forskolin." U.S. Patent US5051132, issued June, 1974.

US5051132
General References
Not Available
External Links
KEGG Drug
D03584
KEGG Compound
C09076
PubChem Compound
47936
PubChem Substance
46509044
ChemSpider
43607
BindingDB
50010261
ChEBI
42471
ChEMBL
CHEMBL52606
PharmGKB
PA146096022
HET
FOK
Drugs.com
Drugs.com Drug Page
Wikipedia
Forskolin
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
1ab8 / 1cjk / 1cjt / 1cju / 1cjv / 1cs4 / 1cul / 1tl7 / 1u0h / 3c14
show 3 more
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedNot AvailableGlaucoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.1 mg/mLALOGPS
logP1.28ALOGPS
logP1.36ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)11.57ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area113.29 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity104.47 m3·mol-1ChemAxon
Polarizability43.33 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.6195
Blood Brain Barrier+0.6888
Caco-2 permeable-0.6796
P-glycoprotein substrateSubstrate0.8361
P-glycoprotein inhibitor IInhibitor0.8198
P-glycoprotein inhibitor IIInhibitor0.6788
Renal organic cation transporterNon-inhibitor0.8998
CYP450 2C9 substrateNon-substrate0.7961
CYP450 2D6 substrateNon-substrate0.892
CYP450 3A4 substrateSubstrate0.7016
CYP450 1A2 substrateNon-inhibitor0.9045
CYP450 2C9 inhibitorNon-inhibitor0.9071
CYP450 2D6 inhibitorNon-inhibitor0.935
CYP450 2C19 inhibitorNon-inhibitor0.9026
CYP450 3A4 inhibitorInhibitor0.7959
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9606
Ames testNon AMES toxic0.6284
CarcinogenicityNon-carcinogens0.9539
BiodegradationNot ready biodegradable0.9792
Rat acute toxicity2.2384 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9911
hERG inhibition (predictor II)Non-inhibitor0.8782
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0a4i-0001900000-7d8f5636999f6b276cd0
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0k92-0349200000-7e9f95896c6366092dc4
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0zgi-0895000000-d5ffd6e415b7071865cd
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0zfr-0941000000-0d4b697cc719902e9cd2

Taxonomy

Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Triterpenoids
Direct Parent
Triterpenoids
Alternative Parents
Naphthopyrans / Naphthalenes / Pyrans / Oxanes / Tertiary alcohols / Secondary alcohols / Ketones / Cyclic alcohols and derivatives / Carboxylic acid esters / Polyols
show 5 more
Substituents
Polycyclic triterpenoid / Triterpenoid / Naphthopyran / Naphthalene / Pyran / Oxane / Cyclic alcohol / Tertiary alcohol / Carboxylic acid ester / Ketone
show 15 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
cyclic ketone, organic heterotricyclic compound, acetate ester, triol, labdane diterpenoid (CHEBI:42471) / Labdane and halimane diterpenoids, Diterpenoids (C20) (C09076) / Labdane and halimane diterpenoids (LMPR0104030004)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Protein heterodimerization activity
Specific Function
Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642). Down-stream signaling cascades mediate changes in gene expression patterns and lead to i...
Gene Name
ADCY2
Uniprot ID
Q08462
Uniprot Name
Adenylate cyclase type 2
Molecular Weight
123602.25 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Signal transducer activity
Specific Function
Guanine nucleotide-binding proteins (G proteins) function as transducers in numerous signaling pathways controlled by G protein-coupled receptors (GPCRs) (PubMed:17110384). Signaling involves the a...
Gene Name
GNAS
Uniprot ID
P63092
Uniprot Name
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short
Molecular Weight
45664.205 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Protein heterodimerization activity
Specific Function
Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642, PubMed:26206488, PubMed:24700542). Mediates signaling downstream of ADRB1 (PubMed:2470054...
Gene Name
ADCY5
Uniprot ID
O95622
Uniprot Name
Adenylate cyclase type 5
Molecular Weight
138906.37 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Pdz domain binding
Specific Function
Involved in the transport of chloride ions. May regulate bicarbonate secretion and salvage in epithelial cells by regulating the SLC4A7 transporter. Can inhibit the chloride channel activity of ANO...
Gene Name
CFTR
Uniprot ID
P13569
Uniprot Name
Cystic fibrosis transmembrane conductance regulator
Molecular Weight
168139.895 Da
References
  1. Ramesh Babu PB, Chidekel A, Utidjian L, Shaffer TH: Regulation of apical surface fluid and protein secretion in human airway epithelial cell line Calu-3. Biochem Biophys Res Commun. 2004 Jul 9;319(4):1132-7. [PubMed:15194485]

Transporters

Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Xenobiotic-transporting atpase activity
Specific Function
Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells.
Gene Name
ABCB1
Uniprot ID
P08183
Uniprot Name
Multidrug resistance protein 1
Molecular Weight
141477.255 Da
References
  1. Wang EJ, Casciano CN, Clement RP, Johnson WW: Active transport of fluorescent P-glycoprotein substrates: evaluation as markers and interaction with inhibitors. Biochem Biophys Res Commun. 2001 Nov 30;289(2):580-5. [PubMed:11716514]

Drug created on June 13, 2005 07:24 / Updated on October 02, 2017 05:12