ozagrel   

GtoPdb Ligand ID: 9866

Synonyms: Cataclot® | KCT-0809 | OKY-046 | Pulmoza®
ozagrel is an approved drug (China and Japan only)
Compound class: Synthetic organic
Comment: Ozagrel is a thromboxane A synthetase (CYP5A1; TBXAS1) inhibitor that has anti-inflammatory action [3]. Note that some of the bioactivity data for ozagrel relate to use of ozagrel sodium or ozagrel hydrochloride.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.12
Molecular weight 228.09
XLogP 1.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C=Cc1ccc(cc1)Cn1ccnc1
Isomeric SMILES OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1
InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
InChI Key SHZKQBHERIJWAO-AATRIKPKSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (China and Japan only)
IUPAC Name
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
International Nonproprietary Names
INN number INN
5918 ozagrel
Synonyms
Cataclot® | KCT-0809 | OKY-046 | Pulmoza®
Database Links
BindingDB Ligand 50017896
CAS Registry No. 82571-53-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL11662
DrugCentral Ligand 2043
GtoPdb PubChem SID 363894160
PubChem CID 5282440
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