Details of the Drug

General Information of Drug (ID: DM1B8NU)

Drug Name

Isbogrel

Synonyms

Antexan; A-66900; CV-4151

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Preregistration	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

281.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H19NO2
IUPAC Name: (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Canonical SMILES: C1=CC=C(C=C1)/C(=C\\CCCCC(=O)O)/C2=CN=CC=C2
InChI: InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
InChIKey: UWPBQLKEHGGKKD-GZTJUZNOSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000413)
2	Beneficial effect of CV-4151 (Isbogrel), a thromboxane A2 synthase inhibitor, in a rat middle cerebral artery thrombosis model. Thromb Res. 1995 Jul 1;79(1):95-107.