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Identification
NameCholesterol
Accession NumberDB04540  (EXPT00945)
TypeSmall Molecule
GroupsExperimental
DescriptionThe principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils. [PubChem]
Structure
Thumb
SynonymsNot Available
External Identifiers Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
SaltsNot Available
Categories
UNII97C5T2UQ7J
CAS number57-88-5
WeightAverage: 386.6535
Monoisotopic: 386.354866094
Chemical FormulaC27H46O
InChI KeyHVYWMOMLDIMFJA-MFYRMPRMSA-N
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25-,26-,27-/m1/s1
IUPAC Name
(1R,2S,5R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol
SMILES
CC(C)CCC[C@@H](C)[[email protected]]1CC[[email protected]]2[C@@H]3CC=C4C[[email protected]](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
Nuclear receptor ROR-alphaProteinunknownNot AvailableHumanP35398 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
Pathways
PathwayCategorySMPDB ID
Rosuvastatin Action PathwayDrug actionSMP00092
Fluvastatin Action PathwayDrug actionSMP00119
CHILD SyndromeDiseaseSMP00387
Hyper-IgD syndromeDiseaseSMP00509
Corticosterone methyl oxidase I deficiency (CMO I)DiseaseSMP00577
27-Hydroxylase DeficiencyDiseaseSMP00720
Alendronate Action PathwayDrug actionSMP00095
Zoledronate Action PathwayDrug actionSMP00107
Cerebrotendinous Xanthomatosis (CTX)DiseaseSMP00315
Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAHDiseaseSMP00371
Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia due to 17 Alpha-hydroxylase DeficiencyDiseaseSMP00372
Wolman diseaseDiseaseSMP00511
11-beta-hydroxylase deficiency (CYP11B1)DiseaseSMP00575
Corticosterone methyl oxidase II deficiency - CMO IIDiseaseSMP00578
Cerivastatin Action PathwayDrug actionSMP00111
Pamidronate Action PathwayDrug actionSMP00117
SteroidogenesisMetabolicSMP00130
Atorvastatin Action PathwayDrug actionSMP00131
Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia due to 21-hydroxylase DeficiencyDiseaseSMP00373
Cholesteryl ester storage diseaseDiseaseSMP00508
Mevalonic aciduriaDiseaseSMP00510
Steroid BiosynthesisMetabolicSMP00023
Bile Acid BiosynthesisMetabolicSMP00035
Ibandronate Action PathwayDrug actionSMP00079
Simvastatin Action PathwayDrug actionSMP00082
Lovastatin Action PathwayDrug actionSMP00099
Familial Hypercholanemia (FHCA)DiseaseSMP00317
Lysosomal Acid Lipase Deficiency (Wolman Disease)DiseaseSMP00319
DesmosterolosisDiseaseSMP00386
Chondrodysplasia Punctata II, X Linked Dominant (CDPX2)DiseaseSMP00388
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with Cholesterol.Approved
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Cholesterol.Approved
Acetylsalicylic acidThe serum concentration of Acetylsalicylic acid can be increased when it is combined with Cholesterol.Approved, Vet Approved
AfatinibThe serum concentration of Afatinib can be increased when it is combined with Cholesterol.Approved
AldosteroneThe serum concentration of Aldosterone can be increased when it is combined with Cholesterol.Experimental
AlitretinoinThe serum concentration of Alitretinoin can be increased when it is combined with Cholesterol.Approved, Investigational
AmbrisentanThe serum concentration of Ambrisentan can be increased when it is combined with Cholesterol.Approved, Investigational
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with Cholesterol.Approved
ApixabanThe serum concentration of Apixaban can be increased when it is combined with Cholesterol.Approved
Arsenic trioxideThe serum concentration of Arsenic trioxide can be increased when it is combined with Cholesterol.Approved, Investigational
AtazanavirThe serum concentration of Atazanavir can be increased when it is combined with Cholesterol.Approved, Investigational
AtenololThe serum concentration of Atenolol can be increased when it is combined with Cholesterol.Approved
AxitinibThe serum concentration of Axitinib can be increased when it is combined with Cholesterol.Approved, Investigational
BetamethasoneThe serum concentration of Betamethasone can be increased when it is combined with Cholesterol.Approved, Vet Approved
BoceprevirThe serum concentration of Boceprevir can be increased when it is combined with Cholesterol.Approved
BosutinibThe serum concentration of Bosutinib can be increased when it is combined with Cholesterol.Approved
Brentuximab vedotinThe serum concentration of Brentuximab vedotin can be increased when it is combined with Cholesterol.Approved
BromocriptineThe serum concentration of Bromocriptine can be increased when it is combined with Cholesterol.Approved, Investigational
CabazitaxelThe serum concentration of Cabazitaxel can be increased when it is combined with Cholesterol.Approved
CaffeineThe serum concentration of Caffeine can be increased when it is combined with Cholesterol.Approved
CamptothecinThe serum concentration of Camptothecin can be increased when it is combined with Cholesterol.Experimental
CanagliflozinThe serum concentration of Canagliflozin can be increased when it is combined with Cholesterol.Approved
CarbamazepineThe serum concentration of Carbamazepine can be increased when it is combined with Cholesterol.Approved, Investigational
CarfilzomibThe serum concentration of Carfilzomib can be increased when it is combined with Cholesterol.Approved
CeritinibThe serum concentration of Ceritinib can be increased when it is combined with Cholesterol.Approved
CerivastatinThe serum concentration of Cerivastatin can be increased when it is combined with Cholesterol.Withdrawn
ChlorpromazineThe serum concentration of Chlorpromazine can be increased when it is combined with Cholesterol.Approved, Vet Approved
CimetidineThe serum concentration of Cimetidine can be increased when it is combined with Cholesterol.Approved
CiprofloxacinThe serum concentration of Ciprofloxacin can be increased when it is combined with Cholesterol.Approved, Investigational
CisplatinThe serum concentration of Cisplatin can be increased when it is combined with Cholesterol.Approved
CitalopramThe serum concentration of Citalopram can be increased when it is combined with Cholesterol.Approved
ClarithromycinThe serum concentration of Clarithromycin can be increased when it is combined with Cholesterol.Approved
ClobazamThe serum concentration of Clobazam can be increased when it is combined with Cholesterol.Approved, Illicit
ClomifeneThe serum concentration of Clomifene can be increased when it is combined with Cholesterol.Approved, Investigational
ClonidineThe serum concentration of Clonidine can be increased when it is combined with Cholesterol.Approved
ClopidogrelThe serum concentration of Clopidogrel can be increased when it is combined with Cholesterol.Approved, Nutraceutical
ClozapineThe serum concentration of Clozapine can be increased when it is combined with Cholesterol.Approved
CobimetinibThe serum concentration of Cobimetinib can be increased when it is combined with Cholesterol.Approved
ColchicineThe serum concentration of Colchicine can be increased when it is combined with Cholesterol.Approved
Conjugated Equine EstrogensThe serum concentration of Conjugated Equine Estrogens can be increased when it is combined with Cholesterol.Approved
CrizotinibThe serum concentration of Crizotinib can be increased when it is combined with Cholesterol.Approved
CyclosporineThe serum concentration of Cyclosporine can be increased when it is combined with Cholesterol.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 Cholesterol.Approved
DabrafenibThe serum concentration of Dabrafenib can be increased when it is combined with Cholesterol.Approved
DactinomycinThe serum concentration of Dactinomycin can be increased when it is combined with Cholesterol.Approved
DapagliflozinThe serum concentration of Dapagliflozin can be increased when it is combined with Cholesterol.Approved
DasatinibThe serum concentration of Dasatinib can be increased when it is combined with Cholesterol.Approved, Investigational
DaunorubicinThe serum concentration of Daunorubicin can be increased when it is combined with Cholesterol.Approved
DebrisoquinThe serum concentration of Debrisoquin can be increased when it is combined with Cholesterol.Approved
DexamethasoneThe serum concentration of Dexamethasone can be increased when it is combined with Cholesterol.Approved, Investigational, Vet Approved
DiazepamThe serum concentration of Diazepam can be increased when it is combined with Cholesterol.Approved, Illicit, Vet Approved
DiethylstilbestrolThe serum concentration of Diethylstilbestrol can be increased when it is combined with Cholesterol.Approved
DigitoxinThe serum concentration of Digitoxin can be increased when it is combined with Cholesterol.Approved
DigoxinThe serum concentration of Digoxin can be increased when it is combined with Cholesterol.Approved
DihydrotestosteroneThe serum concentration of Dihydrotestosterone can be increased when it is combined with Cholesterol.Illicit
DiltiazemThe serum concentration of Diltiazem can be increased when it is combined with Cholesterol.Approved
DipyridamoleThe serum concentration of Dipyridamole can be increased when it is combined with Cholesterol.Approved
DocetaxelThe serum concentration of Docetaxel can be increased when it is combined with Cholesterol.Approved, Investigational
DomperidoneThe serum concentration of Domperidone can be increased when it is combined with Cholesterol.Approved, Investigational, Vet Approved
DoxorubicinThe serum concentration of Doxorubicin can be increased when it is combined with Cholesterol.Approved, Investigational
EdoxabanThe serum concentration of Edoxaban can be increased when it is combined with Cholesterol.Approved
EletriptanThe serum concentration of Eletriptan can be increased when it is combined with Cholesterol.Approved, Investigational
EltrombopagThe serum concentration of Cholesterol can be increased when it is combined with Eltrombopag.Approved
EpinastineThe serum concentration of Epinastine can be increased when it is combined with Cholesterol.Approved, Investigational
ErlotinibThe serum concentration of Erlotinib can be increased when it is combined with Cholesterol.Approved, Investigational
ErythromycinThe serum concentration of Erythromycin can be increased when it is combined with Cholesterol.Approved, Vet Approved
EstradiolThe serum concentration of Estradiol can be increased when it is combined with Cholesterol.Approved, Investigational, Vet Approved
EstriolThe serum concentration of Estriol can be increased when it is combined with Cholesterol.Approved, Vet Approved
EstroneThe serum concentration of Estrone can be increased when it is combined with Cholesterol.Approved
Ethinyl EstradiolThe serum concentration of Ethinyl Estradiol can be increased when it is combined with Cholesterol.Approved
EtoposideThe serum concentration of Etoposide can be increased when it is combined with Cholesterol.Approved
EverolimusThe serum concentration of Everolimus can be increased when it is combined with Cholesterol.Approved
EzetimibeThe serum concentration of Ezetimibe can be increased when it is combined with Cholesterol.Approved
FesoterodineThe serum concentration of Fesoterodine can be increased when it is combined with Cholesterol.Approved
FexofenadineThe serum concentration of Fexofenadine can be increased when it is combined with Cholesterol.Approved
FidaxomicinThe serum concentration of Fidaxomicin can be increased when it is combined with Cholesterol.Approved
Fluticasone furoateThe serum concentration of Fluticasone furoate can be increased when it is combined with Cholesterol.Approved
GefitinibThe serum concentration of Gefitinib can be increased when it is combined with Cholesterol.Approved, Investigational
GemcitabineThe serum concentration of Gemcitabine can be increased when it is combined with Cholesterol.Approved
GrazoprevirThe serum concentration of Grazoprevir can be increased when it is combined with Cholesterol.Approved
GrepafloxacinThe serum concentration of Grepafloxacin can be increased when it is combined with Cholesterol.Withdrawn
HaloperidolThe serum concentration of Haloperidol can be increased when it is combined with Cholesterol.Approved
HydrocortisoneThe serum concentration of Hydrocortisone can be increased when it is combined with Cholesterol.Approved, Vet Approved
IbuprofenThe serum concentration of Ibuprofen can be increased when it is combined with Cholesterol.Approved
IdelalisibThe serum concentration of Idelalisib can be increased when it is combined with Cholesterol.Approved
ImatinibThe serum concentration of Imatinib can be increased when it is combined with Cholesterol.Approved
ImipramineThe serum concentration of Imipramine can be increased when it is combined with Cholesterol.Approved
IndacaterolThe serum concentration of Indacaterol can be increased when it is combined with Cholesterol.Approved
IndinavirThe serum concentration of Indinavir can be increased when it is combined with Cholesterol.Approved
IndomethacinThe serum concentration of Indomethacin can be increased when it is combined with Cholesterol.Approved, Investigational
IrinotecanThe serum concentration of Irinotecan can be increased when it is combined with Cholesterol.Approved, Investigational
IvermectinThe serum concentration of Ivermectin can be increased when it is combined with Cholesterol.Approved, Vet Approved
KetazolamThe serum concentration of Ketazolam can be increased when it is combined with Cholesterol.Approved
KetoconazoleThe serum concentration of Ketoconazole can be increased when it is combined with Cholesterol.Approved, Investigational
LamivudineThe serum concentration of Lamivudine can be increased when it is combined with Cholesterol.Approved, Investigational
LamotrigineThe serum concentration of Lamotrigine can be increased when it is combined with Cholesterol.Approved, Investigational
LansoprazoleThe serum concentration of Lansoprazole can be increased when it is combined with Cholesterol.Approved, Investigational
LedipasvirThe serum concentration of Ledipasvir can be increased when it is combined with Cholesterol.Approved
LenalidomideThe serum concentration of Lenalidomide can be increased when it is combined with Cholesterol.Approved
LenvatinibThe serum concentration of Lenvatinib can be increased when it is combined with Cholesterol.Approved
LevetiracetamThe serum concentration of Levetiracetam can be increased when it is combined with Cholesterol.Approved, Investigational
LevofloxacinThe serum concentration of Levofloxacin can be increased when it is combined with Cholesterol.Approved, Investigational
LevomilnacipranThe serum concentration of Levomilnacipran can be increased when it is combined with Cholesterol.Approved
LinagliptinThe serum concentration of Linagliptin can be increased when it is combined with Cholesterol.Approved
LoperamideThe serum concentration of Loperamide can be increased when it is combined with Cholesterol.Approved
LosartanThe serum concentration of Losartan can be increased when it is combined with Cholesterol.Approved
MannitolThe serum concentration of Mannitol can be increased when it is combined with Cholesterol.Approved, Investigational
MethotrexateThe serum concentration of Methotrexate can be increased when it is combined with Cholesterol.Approved
MethylprednisoloneThe serum concentration of Methylprednisolone can be increased when it is combined with Cholesterol.Approved, Vet Approved
MetoprololThe serum concentration of Metoprolol can be increased when it is combined with Cholesterol.Approved, Investigational
MidazolamThe serum concentration of Midazolam can be increased when it is combined with Cholesterol.Approved, Illicit
MirabegronThe serum concentration of Mirabegron can be increased when it is combined with Cholesterol.Approved
MitoxantroneThe serum concentration of Mitoxantrone can be increased when it is combined with Cholesterol.Approved, Investigational
MorphineThe serum concentration of Morphine can be increased when it is combined with Cholesterol.Approved, Investigational
Mycophenolate mofetilThe serum concentration of Mycophenolate mofetil can be increased when it is combined with Cholesterol.Approved, Investigational
NadololThe serum concentration of Nadolol can be increased when it is combined with Cholesterol.Approved
NaloxegolThe serum concentration of Naloxegol can be increased when it is combined with Cholesterol.Approved
NaloxoneThe serum concentration of Naloxone can be increased when it is combined with Cholesterol.Approved, Vet Approved
NelfinavirThe serum concentration of Nelfinavir can be increased when it is combined with Cholesterol.Approved
NicardipineThe serum concentration of Nicardipine can be increased when it is combined with Cholesterol.Approved
NifedipineThe serum concentration of Nifedipine can be increased when it is combined with Cholesterol.Approved
NilotinibThe serum concentration of Nilotinib can be increased when it is combined with Cholesterol.Approved, Investigational
NintedanibThe serum concentration of Nintedanib can be increased when it is combined with Cholesterol.Approved
NizatidineThe serum concentration of Nizatidine can be increased when it is combined with Cholesterol.Approved
OlanzapineThe serum concentration of Olanzapine can be increased when it is combined with Cholesterol.Approved, Investigational
OmbitasvirThe serum concentration of Ombitasvir can be increased when it is combined with Cholesterol.Approved
OsimertinibThe serum concentration of Osimertinib can be increased when it is combined with Cholesterol.Approved
PaclitaxelThe serum concentration of Paclitaxel can be increased when it is combined with Cholesterol.Approved, Vet Approved
PanobinostatThe serum concentration of Panobinostat can be increased when it is combined with Cholesterol.Approved, Investigational
PazopanibThe serum concentration of Pazopanib can be increased when it is combined with Cholesterol.Approved
PhenobarbitalThe serum concentration of Phenobarbital can be increased when it is combined with Cholesterol.Approved
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Cholesterol.Approved, Vet Approved
PitavastatinThe serum concentration of Pitavastatin can be increased when it is combined with Cholesterol.Approved
PomalidomideThe serum concentration of Pomalidomide can be increased when it is combined with Cholesterol.Approved
PonatinibThe serum concentration of Ponatinib can be increased when it is combined with Cholesterol.Approved
PravastatinThe serum concentration of Pravastatin can be increased when it is combined with Cholesterol.Approved
PrazosinThe serum concentration of Prazosin can be increased when it is combined with Cholesterol.Approved
PrednisoloneThe serum concentration of Prednisolone can be increased when it is combined with Cholesterol.Approved, Vet Approved
PrednisoneThe serum concentration of Prednisone can be increased when it is combined with Cholesterol.Approved, Vet Approved
ProgesteroneThe serum concentration of Progesterone can be increased when it is combined with Cholesterol.Approved, Vet Approved
PropranololThe serum concentration of Propranolol can be increased when it is combined with Cholesterol.Approved, Investigational
PrucaloprideThe serum concentration of Prucalopride can be increased when it is combined with Cholesterol.Approved
QuetiapineThe serum concentration of Quetiapine can be increased when it is combined with Cholesterol.Approved
QuinidineThe serum concentration of Quinidine can be increased when it is combined with Cholesterol.Approved
QuinineThe serum concentration of Quinine can be increased when it is combined with Cholesterol.Approved
RanitidineThe serum concentration of Ranitidine can be increased when it is combined with Cholesterol.Approved
RanolazineThe serum concentration of Ranolazine can be increased when it is combined with Cholesterol.Approved, Investigational
ReserpineThe serum concentration of Reserpine can be increased when it is combined with Cholesterol.Approved
RifampicinThe serum concentration of Rifampicin can be increased when it is combined with Cholesterol.Approved
RifaximinThe serum concentration of Rifaximin can be increased when it is combined with Cholesterol.Approved, Investigational
RisperidoneThe serum concentration of Risperidone can be increased when it is combined with Cholesterol.Approved, Investigational
RitonavirThe serum concentration of Ritonavir can be increased when it is combined with Cholesterol.Approved, Investigational
RivaroxabanThe serum concentration of Rivaroxaban can be increased when it is combined with Cholesterol.Approved
RolapitantThe serum concentration of Cholesterol can be increased when it is combined with Rolapitant.Approved
RomidepsinThe serum concentration of Romidepsin can be increased when it is combined with Cholesterol.Approved, Investigational
Salicylic acidThe serum concentration of Salicylic acid can be increased when it is combined with Cholesterol.Approved, Vet Approved
SaquinavirThe serum concentration of Saquinavir can be increased when it is combined with Cholesterol.Approved, Investigational
SelexipagThe serum concentration of Selexipag can be increased when it is combined with Cholesterol.Approved
SilodosinThe serum concentration of Silodosin can be increased when it is combined with Cholesterol.Approved
SimeprevirThe serum concentration of Simeprevir can be increased when it is combined with Cholesterol.Approved
SitagliptinThe serum concentration of Sitagliptin can be increased when it is combined with Cholesterol.Approved, Investigational
SofosbuvirThe serum concentration of Sofosbuvir can be increased when it is combined with Cholesterol.Approved
SorafenibThe serum concentration of Sorafenib can be increased when it is combined with Cholesterol.Approved, Investigational
SparfloxacinThe serum concentration of Sparfloxacin can be increased when it is combined with Cholesterol.Approved
SphingosineThe serum concentration of Sphingosine can be increased when it is combined with Cholesterol.Experimental
TacrolimusThe serum concentration of Tacrolimus can be increased when it is combined with Cholesterol.Approved, Investigational
TamoxifenThe serum concentration of Tamoxifen can be increased when it is combined with Cholesterol.Approved
Taurocholic AcidThe serum concentration of Taurocholic Acid can be increased when it is combined with Cholesterol.Experimental
Technetium Tc-99m sestamibiThe serum concentration of Technetium Tc-99m sestamibi can be increased when it is combined with Cholesterol.Approved
TelaprevirThe serum concentration of Telaprevir can be increased when it is combined with Cholesterol.Approved
TemsirolimusThe serum concentration of Temsirolimus can be increased when it is combined with Cholesterol.Approved
TeriflunomideThe serum concentration of Cholesterol can be increased when it is combined with Teriflunomide.Approved
TicagrelorThe serum concentration of Ticagrelor can be increased when it is combined with Cholesterol.Approved
TimololThe serum concentration of Timolol can be increased when it is combined with Cholesterol.Approved
TolvaptanThe serum concentration of Tolvaptan can be increased when it is combined with Cholesterol.Approved
TopotecanThe serum concentration of Topotecan can be increased when it is combined with Cholesterol.Approved, Investigational
ToremifeneThe serum concentration of Toremifene can be increased when it is combined with Cholesterol.Approved, Investigational
Trastuzumab emtansineThe serum concentration of Trastuzumab emtansine can be increased when it is combined with Cholesterol.Approved
UlipristalThe serum concentration of Ulipristal can be increased when it is combined with Cholesterol.Approved
UmeclidiniumThe serum concentration of Umeclidinium can be increased when it is combined with Cholesterol.Approved
VecuroniumThe serum concentration of Vecuronium can be increased when it is combined with Cholesterol.Approved
VenetoclaxThe serum concentration of Venetoclax can be increased when it is combined with Cholesterol.Approved
VenlafaxineThe serum concentration of Venlafaxine can be increased when it is combined with Cholesterol.Approved
VerapamilThe serum concentration of Verapamil can be increased when it is combined with Cholesterol.Approved
VinblastineThe serum concentration of Vinblastine can be increased when it is combined with Cholesterol.Approved
VincristineThe serum concentration of Vincristine can be increased when it is combined with Cholesterol.Approved, Investigational
VismodegibThe serum concentration of Vismodegib can be increased when it is combined with Cholesterol.Approved
ZidovudineThe serum concentration of Zidovudine can be increased when it is combined with Cholesterol.Approved
Food InteractionsNot Available
References
Synthesis Reference

Tatu Miettenen, Ingmar Wester, Hannu Vanhanen, “Substance for lowering high cholesterol level in serum and methods for preparing and using the same.” U.S. Patent US6174560, issued February, 1944.

US6174560
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.9749
Caco-2 permeable+0.8184
P-glycoprotein substrateSubstrate0.6477
P-glycoprotein inhibitor IInhibitor0.6404
P-glycoprotein inhibitor IINon-inhibitor0.529
Renal organic cation transporterNon-inhibitor0.7691
CYP450 2C9 substrateNon-substrate0.8257
CYP450 2D6 substrateNon-substrate0.8794
CYP450 3A4 substrateSubstrate0.7439
CYP450 1A2 substrateNon-inhibitor0.9355
CYP450 2C9 inhibitorNon-inhibitor0.9194
CYP450 2D6 inhibitorNon-inhibitor0.9519
CYP450 2C19 inhibitorNon-inhibitor0.9177
CYP450 3A4 inhibitorNon-inhibitor0.8638
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.6721
Ames testNon AMES toxic0.8888
CarcinogenicityNon-carcinogens0.932
BiodegradationNot ready biodegradable0.9825
Rat acute toxicity2.8078 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.773
hERG inhibition (predictor II)Non-inhibitor0.7552
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental Properties
PropertyValueSource
melting point148.5 °CPhysProp
boiling point360 °CPhysProp
water solubility0.095 mg/L (at 30 °C)YALKOWSKY,SH & DANNENFELSER,RM (1992)
Predicted Properties
PropertyValueSource
Water Solubility2.79e-05 mg/mLALOGPS
logP7.02ALOGPS
logP7.11ChemAxon
logS-7.1ALOGPS
pKa (Strongest Acidic)18.2ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity120.62 m3·mol-1ChemAxon
Polarizability49.99 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassCholestane steroids
Direct ParentCholesterols and derivatives
Alternative Parents
Substituents
  • Cholesterol-skeleton
  • Cholesterol
  • 3-alpha-hydroxysteroid
  • Hydroxysteroid
  • 3-hydroxysteroid
  • 3-hydroxy-delta-5-steroid
  • Delta-5-steroid
  • Cyclic alcohol
  • Secondary alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Zinc ion binding
Specific Function:
Nuclear receptor that binds DNA as a monomer to ROR response elements (RORE) containing a single core motif half-site 5'-AGGTCA-3' preceded by a short A-T-rich sequence. Key regulator of embryonic development, cellular differentiation, immunity, circadian rhythm as well as lipid, steroid, xenobiotics and glucose metabolism. Considered to have intrinsic transcriptional activity, have some natura...
Gene Name:
RORA
Uniprot ID:
P35398
Molecular Weight:
58974.35 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. 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 ]

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
Molecular Weight:
141477.255 Da
References
  1. Wang E, Casciano CN, Clement RP, Johnson WW: Cholesterol interaction with the daunorubicin binding site of P-glycoprotein. Biochem Biophys Res Commun. 2000 Oct 5;276(3):909-16. [PubMed:11027568 ]
Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
substrate
General Function:
Xenobiotic-transporting atpase activity
Specific Function:
High-capacity urate exporter functioning in both renal and extrarenal urate excretion. Plays a role in porphyrin homeostasis as it is able to mediates the export of protoporhyrin IX (PPIX) both from mitochondria to cytosol and from cytosol to extracellular space, and cellular export of hemin, and heme. Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from t...
Gene Name:
ABCG2
Uniprot ID:
Q9UNQ0
Molecular Weight:
72313.47 Da
References
  1. Janvilisri T, Venter H, Shahi S, Reuter G, Balakrishnan L, van Veen HW: Sterol transport by the human breast cancer resistance protein (ABCG2) expressed in Lactococcus lactis. J Biol Chem. 2003 Jun 6;278(23):20645-51. Epub 2003 Mar 28. [PubMed:12668685 ]
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Drug created on June 13, 2005 07:24 / Updated on August 17, 2016 12:24