Identification

Name
Forasartan
Accession Number
DB01342
Type
Small Molecule
Groups
Experimental
Description

Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. Forasartan competes with angiotensin II for binding at the AT1 receptor subtype. As angiotensin II is a vasoconstrictor which also stimulates the synthesis and release of aldosterone, blockage of its effects results in a decreases in systemic vascular resistance.

Structure
Thumb
Synonyms
Not Available
External IDs
SC-52458
Categories
UNII
065F7WPT0B
CAS number
145216-43-9
Weight
Average: 416.522
Monoisotopic: 416.243692936
Chemical Formula
C23H28N8
InChI Key
YONOBYIBNBCDSJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
IUPAC Name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
SMILES
CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1

Pharmacology

Indication

For the treatment of hypertension.

Structured Indications
Not Available
Pharmacodynamics

Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. By inhibiting angiotensin II receptors, this drug leads to a decrease in sodium reabsorption (which decreases water content of blood) and a decrease in vasoconstriction. Combined, this has the effect of lowering blood pressure.

Mechanism of action

Forasartan competes with angiotensin II for binding at the AT1 receptor subtype. As angiotensin II is a vasoconstrictor which also stimulates the synthesis and release of aldosterone, blockage of its effects results in a decreases in systemic vascular resistance. Also, since angiotensin causes vasoconstriction, the inhibition of this receptor decreases vasoconstriction, which consequently also decreases vascular resistnace.

TargetActionsOrganism
AType-1 angiotensin II receptor
antagonist
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
  • Humans and other mammals
Pathways
PathwayCategory
Forasartan Action PathwayDrug action
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AceclofenacThe risk or severity of adverse effects can be increased when Forasartan is combined with Aceclofenac.Approved, Investigational
AcemetacinThe risk or severity of adverse effects can be increased when Forasartan is combined with Acemetacin.Approved, Experimental, Investigational
Acetylsalicylic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Acetylsalicylic acid.Approved, Vet Approved
AdapaleneThe risk or severity of adverse effects can be increased when Forasartan is combined with Adapalene.Approved
AlclofenacThe risk or severity of adverse effects can be increased when Forasartan is combined with Alclofenac.Approved, Withdrawn
AliskirenAliskiren may increase the hyperkalemic activities of Forasartan.Approved, Investigational
AlminoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Alminoprofen.Experimental
AmilorideForasartan may increase the hyperkalemic activities of Amiloride.Approved
AndrographolideThe risk or severity of adverse effects can be increased when Forasartan is combined with Andrographolide.Investigational
AnisodamineThe risk or severity of adverse effects can be increased when Forasartan is combined with Anisodamine.Investigational
AntipyrineThe risk or severity of adverse effects can be increased when Forasartan is combined with Antipyrine.Approved
ApocyninThe risk or severity of adverse effects can be increased when Forasartan is combined with Apocynin.Investigational
ApremilastThe risk or severity of adverse effects can be increased when Forasartan is combined with Apremilast.Approved, Investigational
AzapropazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Azapropazone.Withdrawn
AzelastineThe risk or severity of adverse effects can be increased when Forasartan is combined with Azelastine.Approved
BalsalazideThe risk or severity of adverse effects can be increased when Forasartan is combined with Balsalazide.Approved, Investigational
BenazeprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Benazepril.Approved, Investigational
BendazacThe risk or severity of adverse effects can be increased when Forasartan is combined with Bendazac.Experimental
BenorilateThe risk or severity of adverse effects can be increased when Forasartan is combined with Benorilate.Experimental
BenoxaprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Benoxaprofen.Withdrawn
BenzydamineThe risk or severity of adverse effects can be increased when Forasartan is combined with Benzydamine.Approved
BevoniumThe risk or severity of adverse effects can be increased when Forasartan is combined with Bevonium.Experimental
BromfenacThe risk or severity of adverse effects can be increased when Forasartan is combined with Bromfenac.Approved
BucillamineThe risk or severity of adverse effects can be increased when Forasartan is combined with Bucillamine.Investigational
BufexamacThe risk or severity of adverse effects can be increased when Forasartan is combined with Bufexamac.Experimental
BumadizoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Bumadizone.Experimental
CanagliflozinCanagliflozin may increase the hyperkalemic activities of Forasartan.Approved
CandoxatrilThe risk or severity of adverse effects can be increased when Forasartan is combined with Candoxatril.Experimental
CaptoprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Captopril.Approved
Carbaspirin calciumThe risk or severity of adverse effects can be increased when Forasartan is combined with Carbaspirin calcium.Experimental, Investigational
CarprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Carprofen.Approved, Vet Approved, Withdrawn
CastanospermineThe risk or severity of adverse effects can be increased when Forasartan is combined with Castanospermine.Experimental
CelecoxibThe risk or severity of adverse effects can be increased when Forasartan is combined with Celecoxib.Approved, Investigational
ChloroquineThe risk or severity of adverse effects can be increased when Forasartan is combined with Chloroquine.Approved, Vet Approved
Choline magnesium trisalicylateThe risk or severity of adverse effects can be increased when Forasartan is combined with Choline magnesium trisalicylate.Approved
CilazaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Cilazapril.Approved
CiprofloxacinForasartan may increase the arrhythmogenic activities of Ciprofloxacin.Approved, Investigational
ClonixinThe risk or severity of adverse effects can be increased when Forasartan is combined with Clonixin.Approved
CurcuminThe risk or severity of adverse effects can be increased when Forasartan is combined with Curcumin.Investigational
CyclosporineForasartan may increase the hyperkalemic activities of Cyclosporine.Approved, Investigational, Vet Approved
DapoxetineDapoxetine may increase the orthostatic hypotensive activities of Forasartan.Investigational
DelaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Delapril.Experimental
DiclofenacThe risk or severity of adverse effects can be increased when Forasartan is combined with Diclofenac.Approved, Vet Approved
DifenpiramideThe risk or severity of adverse effects can be increased when Forasartan is combined with Difenpiramide.Experimental
DiflunisalThe risk or severity of adverse effects can be increased when Forasartan is combined with Diflunisal.Approved
DrospirenoneForasartan may increase the hyperkalemic activities of Drospirenone.Approved
DroxicamThe risk or severity of adverse effects can be increased when Forasartan is combined with Droxicam.Withdrawn
DuvelisibThe risk or severity of adverse effects can be increased when Forasartan is combined with Duvelisib.Investigational
E-6201The risk or severity of adverse effects can be increased when Forasartan is combined with E-6201.Investigational
EnalaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Enalapril.Approved, Vet Approved
EnalaprilatThe risk or severity of adverse effects can be increased when Forasartan is combined with Enalaprilat.Approved
EpirizoleThe risk or severity of adverse effects can be increased when Forasartan is combined with Epirizole.Approved
EplerenoneEplerenone may increase the hyperkalemic activities of Forasartan.Approved
EtanerceptThe risk or severity of adverse effects can be increased when Forasartan is combined with Etanercept.Approved, Investigational
EthenzamideThe risk or severity of adverse effects can be increased when Forasartan is combined with Ethenzamide.Experimental
EtodolacThe risk or severity of adverse effects can be increased when Forasartan is combined with Etodolac.Approved, Investigational, Vet Approved
EtofenamateThe risk or severity of adverse effects can be increased when Forasartan is combined with Etofenamate.Approved, Investigational
EtoricoxibThe risk or severity of adverse effects can be increased when Forasartan is combined with Etoricoxib.Approved, Investigational
Evening primrose oilThe risk or severity of adverse effects can be increased when Forasartan is combined with Evening primrose oil.Approved, Investigational
ExisulindThe risk or severity of adverse effects can be increased when Forasartan is combined with Exisulind.Investigational
FelbinacThe risk or severity of adverse effects can be increased when Forasartan is combined with Felbinac.Experimental
FenbufenThe risk or severity of adverse effects can be increased when Forasartan is combined with Fenbufen.Approved
FenoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Fenoprofen.Approved
FentiazacThe risk or severity of adverse effects can be increased when Forasartan is combined with Fentiazac.Experimental
FeprazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Feprazone.Experimental
Ferulic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Ferulic acid.Experimental
FloctafenineThe risk or severity of adverse effects can be increased when Forasartan is combined with Floctafenine.Approved, Withdrawn
FlunixinThe risk or severity of adverse effects can be increased when Forasartan is combined with Flunixin.Vet Approved
FlunoxaprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Flunoxaprofen.Experimental
FlurbiprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Flurbiprofen.Approved, Investigational
FosinoprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Fosinopril.Approved
GuacetisalThe risk or severity of adverse effects can be increased when Forasartan is combined with Guacetisal.Experimental
HeparinHeparin may increase the hyperkalemic activities of Forasartan.Approved, Investigational
HigenamineThe risk or severity of adverse effects can be increased when Forasartan is combined with Higenamine.Investigational
IbuprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Ibuprofen.Approved
IbuproxamThe risk or severity of adverse effects can be increased when Forasartan is combined with Ibuproxam.Withdrawn
IcatibantThe risk or severity of adverse effects can be increased when Forasartan is combined with Icatibant.Approved
ImidaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Imidapril.Investigational
Imidazole salicylateThe risk or severity of adverse effects can be increased when Forasartan is combined with Imidazole salicylate.Experimental
IndobufenThe risk or severity of adverse effects can be increased when Forasartan is combined with Indobufen.Investigational
IndomethacinThe risk or severity of adverse effects can be increased when Forasartan is combined with Indomethacin.Approved, Investigational
IndoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Indoprofen.Withdrawn
IsoxicamThe risk or severity of adverse effects can be increased when Forasartan is combined with Isoxicam.Withdrawn
KebuzoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Kebuzone.Experimental
KetoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Ketoprofen.Approved, Vet Approved
KetorolacThe risk or severity of adverse effects can be increased when Forasartan is combined with Ketorolac.Approved
LeflunomideThe risk or severity of adverse effects can be increased when Forasartan is combined with Leflunomide.Approved, Investigational
LisinoprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Lisinopril.Approved, Investigational
LisofyllineThe risk or severity of adverse effects can be increased when Forasartan is combined with Lisofylline.Investigational
LithiumThe serum concentration of Lithium can be increased when it is combined with Forasartan.Approved
LonazolacThe risk or severity of adverse effects can be increased when Forasartan is combined with Lonazolac.Experimental
LornoxicamThe risk or severity of adverse effects can be increased when Forasartan is combined with Lornoxicam.Approved, Investigational
LoxoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Loxoprofen.Approved, Investigational
LumiracoxibThe risk or severity of adverse effects can be increased when Forasartan is combined with Lumiracoxib.Approved, Investigational
Magnesium salicylateThe risk or severity of adverse effects can be increased when Forasartan is combined with Magnesium salicylate.Approved
MasoprocolThe risk or severity of adverse effects can be increased when Forasartan is combined with Masoprocol.Approved, Investigational
Meclofenamic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Meclofenamic acid.Approved, Vet Approved
Mefenamic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Mefenamic acid.Approved
MeloxicamThe risk or severity of adverse effects can be increased when Forasartan is combined with Meloxicam.Approved, Vet Approved
MesalazineThe risk or severity of adverse effects can be increased when Forasartan is combined with Mesalazine.Approved
MetamizoleThe risk or severity of adverse effects can be increased when Forasartan is combined with Metamizole.Investigational, Withdrawn
MizoribineThe risk or severity of adverse effects can be increased when Forasartan is combined with Mizoribine.Investigational
MoexiprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Moexipril.Approved
MofebutazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Mofebutazone.Experimental
Mycophenolate mofetilThe risk or severity of adverse effects can be increased when Forasartan is combined with Mycophenolate mofetil.Approved, Investigational
Mycophenolic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Mycophenolic acid.Approved
NabumetoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Nabumetone.Approved
NafamostatThe risk or severity of adverse effects can be increased when Forasartan is combined with Nafamostat.Approved, Investigational
NaftifineThe risk or severity of adverse effects can be increased when Forasartan is combined with Naftifine.Approved
NaproxenThe risk or severity of adverse effects can be increased when Forasartan is combined with Naproxen.Approved, Vet Approved
NepafenacThe risk or severity of adverse effects can be increased when Forasartan is combined with Nepafenac.Approved
NicorandilNicorandil may increase the hyperkalemic activities of Forasartan.Approved, Investigational
NifenazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Nifenazone.Experimental
Niflumic AcidThe risk or severity of adverse effects can be increased when Forasartan is combined with Niflumic Acid.Approved
NimesulideThe risk or severity of adverse effects can be increased when Forasartan is combined with Nimesulide.Approved, Investigational, Withdrawn
NitroaspirinThe risk or severity of adverse effects can be increased when Forasartan is combined with Nitroaspirin.Investigational
OlopatadineThe risk or severity of adverse effects can be increased when Forasartan is combined with Olopatadine.Approved
OlsalazineThe risk or severity of adverse effects can be increased when Forasartan is combined with Olsalazine.Approved
OmapatrilatThe risk or severity of adverse effects can be increased when Forasartan is combined with Omapatrilat.Investigational
OrgoteinThe risk or severity of adverse effects can be increased when Forasartan is combined with Orgotein.Vet Approved
OxaprozinThe risk or severity of adverse effects can be increased when Forasartan is combined with Oxaprozin.Approved
OxyphenbutazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Oxyphenbutazone.Approved, Withdrawn
ParecoxibThe risk or severity of adverse effects can be increased when Forasartan is combined with Parecoxib.Approved
ParthenolideThe risk or severity of adverse effects can be increased when Forasartan is combined with Parthenolide.Investigational
PerindoprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Perindopril.Approved
PhenylbutazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Phenylbutazone.Approved, Vet Approved
PimecrolimusThe risk or severity of adverse effects can be increased when Forasartan is combined with Pimecrolimus.Approved, Investigational
PirfenidoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Pirfenidone.Approved, Investigational
PiroxicamThe risk or severity of adverse effects can be increased when Forasartan is combined with Piroxicam.Approved, Investigational
PirprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Pirprofen.Experimental
PranoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Pranoprofen.Experimental, Investigational
ProglumetacinThe risk or severity of adverse effects can be increased when Forasartan is combined with Proglumetacin.Experimental
PropacetamolThe risk or severity of adverse effects can be increased when Forasartan is combined with Propacetamol.Approved, Investigational
PropyphenazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Propyphenazone.Experimental
ProquazoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Proquazone.Experimental
PTC299The risk or severity of adverse effects can be increased when Forasartan is combined with PTC299.Investigational
QuinaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Quinapril.Approved, Investigational
RamiprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Ramipril.Approved
RescinnamineThe risk or severity of adverse effects can be increased when Forasartan is combined with Rescinnamine.Approved
ResveratrolThe risk or severity of adverse effects can be increased when Forasartan is combined with Resveratrol.Approved, Experimental, Investigational
RofecoxibThe risk or severity of adverse effects can be increased when Forasartan is combined with Rofecoxib.Investigational, Withdrawn
SalicylamideThe risk or severity of adverse effects can be increased when Forasartan is combined with Salicylamide.Approved
Salicylic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Salicylic acid.Approved, Vet Approved
SalsalateThe risk or severity of adverse effects can be increased when Forasartan is combined with Salsalate.Approved
SemapimodThe risk or severity of adverse effects can be increased when Forasartan is combined with Semapimod.Investigational
SeratrodastThe risk or severity of adverse effects can be increased when Forasartan is combined with Seratrodast.Approved
SerrapeptaseThe risk or severity of adverse effects can be increased when Forasartan is combined with Serrapeptase.Investigational
Sodium phosphateForasartan may increase the nephrotoxic activities of Sodium phosphate.Approved
SpiraprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Spirapril.Approved
SRT501The risk or severity of adverse effects can be increased when Forasartan is combined with SRT501.Investigational
SulfasalazineThe risk or severity of adverse effects can be increased when Forasartan is combined with Sulfasalazine.Approved
SulindacThe risk or severity of adverse effects can be increased when Forasartan is combined with Sulindac.Approved
SuprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Suprofen.Approved, Withdrawn
SuxibuzoneThe risk or severity of adverse effects can be increased when Forasartan is combined with Suxibuzone.Experimental
TarenflurbilThe risk or severity of adverse effects can be increased when Forasartan is combined with Tarenflurbil.Investigational
TemocaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Temocapril.Experimental, Investigational
TenidapThe risk or severity of adverse effects can be increased when Forasartan is combined with Tenidap.Experimental
TenoxicamThe risk or severity of adverse effects can be increased when Forasartan is combined with Tenoxicam.Approved
TepoxalinThe risk or severity of adverse effects can be increased when Forasartan is combined with Tepoxalin.Vet Approved
TeriflunomideThe risk or severity of adverse effects can be increased when Forasartan is combined with Teriflunomide.Approved
Tiaprofenic acidThe risk or severity of adverse effects can be increased when Forasartan is combined with Tiaprofenic acid.Approved
TinoridineThe risk or severity of adverse effects can be increased when Forasartan is combined with Tinoridine.Investigational
Tolfenamic AcidThe risk or severity of adverse effects can be increased when Forasartan is combined with Tolfenamic Acid.Approved
TolmetinThe risk or severity of adverse effects can be increased when Forasartan is combined with Tolmetin.Approved
TolvaptanTolvaptan may increase the hyperkalemic activities of Forasartan.Approved
TrandolaprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Trandolapril.Approved
TranilastThe risk or severity of adverse effects can be increased when Forasartan is combined with Tranilast.Approved, Investigational
TriamtereneForasartan may increase the hyperkalemic activities of Triamterene.Approved
TribenosideThe risk or severity of adverse effects can be increased when Forasartan is combined with Tribenoside.Experimental
TrimethoprimTrimethoprim may increase the hyperkalemic activities of Forasartan.Approved, Vet Approved
TriptolideThe risk or severity of adverse effects can be increased when Forasartan is combined with Triptolide.Investigational
ValdecoxibThe risk or severity of adverse effects can be increased when Forasartan is combined with Valdecoxib.Investigational, Withdrawn
ZaltoprofenThe risk or severity of adverse effects can be increased when Forasartan is combined with Zaltoprofen.Approved, Investigational
ZileutonThe risk or severity of adverse effects can be increased when Forasartan is combined with Zileuton.Approved, Investigational, Withdrawn
ZofenoprilThe risk or severity of adverse effects can be increased when Forasartan is combined with Zofenopril.Experimental
ZomepiracThe risk or severity of adverse effects can be increased when Forasartan is combined with Zomepirac.Withdrawn
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB15434
KEGG Drug
D04243
PubChem Compound
132706
PubChem Substance
46505698
ChemSpider
117146
BindingDB
50049209
ChEMBL
CHEMBL315021
Therapeutic Targets Database
DAP001256
PharmGKB
PA164776845
Wikipedia
Forasartan

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.00667 mg/mLALOGPS
logP4.51ALOGPS
logP5.89ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)7.35ChemAxon
pKa (Strongest Basic)3.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area98.06 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity145.44 m3·mol-1ChemAxon
Polarizability46.79 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.9069
Caco-2 permeable+0.5
P-glycoprotein substrateSubstrate0.615
P-glycoprotein inhibitor INon-inhibitor0.6612
P-glycoprotein inhibitor IINon-inhibitor0.8805
Renal organic cation transporterInhibitor0.5228
CYP450 2C9 substrateNon-substrate0.7854
CYP450 2D6 substrateNon-substrate0.831
CYP450 3A4 substrateNon-substrate0.5512
CYP450 1A2 substrateNon-inhibitor0.64
CYP450 2C9 inhibitorNon-inhibitor0.5115
CYP450 2D6 inhibitorNon-inhibitor0.7168
CYP450 2C19 inhibitorInhibitor0.7661
CYP450 3A4 inhibitorInhibitor0.6576
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.7192
Ames testNon AMES toxic0.5233
CarcinogenicityNon-carcinogens0.8243
BiodegradationNot ready biodegradable0.9969
Rat acute toxicity2.7970 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.6462
hERG inhibition (predictor II)Non-inhibitor0.546
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Phenylpyridines
Direct Parent
Phenylpyridines
Alternative Parents
Phenyltetrazoles and derivatives / Benzene and substituted derivatives / Triazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
2-phenylpyridine / Phenyltetrazole / Benzenoid / Monocyclic benzene moiety / Heteroaromatic compound / 1,2,4-triazole / Tetrazole / Azole / Azacycle / Organic nitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
Yes
Actions
Antagonist
General Function
Protein heterodimerization activity
Specific Function
Receptor for angiotensin II. Mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system.
Gene Name
AGTR1
Uniprot ID
P30556
Uniprot Name
Type-1 angiotensin II receptor
Molecular Weight
41060.53 Da
References
  1. Tokunaga R, Kushiku K, Yamada K, Yamada H, Furukawa T: Possible involvement of calcium-calmodulin pathways in the positive chronotropic response to angiotensin II on the canine cardiac sympathetic ganglia. Jpn J Pharmacol. 2001 Aug;86(4):381-9. [PubMed:11569611]
  2. Usune S, Furukawa T: Effects of SC-52458, a new nonpeptide angiotensin II receptor antagonist, on increase in cytoplasmic Ca2+ concentrations and contraction induced by angiotensin II and K(+)-depolarization in guinea-pig taenia coli. Gen Pharmacol. 1996 Oct;27(7):1179-85. [PubMed:8981065]
  3. Hagmann M, Nussberger J, Naudin RB, Burns TS, Karim A, Waeber B, Brunner HR: SC-52458, an orally active angiotensin II-receptor antagonist: inhibition of blood pressure response to angiotensin II challenges and pharmacokinetics in normal volunteers. J Cardiovasc Pharmacol. 1997 Apr;29(4):444-50. [PubMed:9156352]
  4. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352]

Drug created on June 30, 2007 12:11 / Updated on November 09, 2017 02:59