ozagrel   Click here for help

GtoPdb Ligand ID: 9866

Synonyms: Cataclot® | KCT-0809 | OKY-046 | Pulmoza®
Approved drug Immunopharmacology Ligand
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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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+
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China and Japan only)
IUPAC Name Click here for help
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
International Nonproprietary Names Click here for help
INN number INN
5918 ozagrel
Synonyms Click here for help
Cataclot® | KCT-0809 | OKY-046 | Pulmoza®
Database Links Click here for help
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
Search Google for chemical match using the InChIKey SHZKQBHERIJWAO-AATRIKPKSA-N
Search Google for chemicals with the same backbone SHZKQBHERIJWAO
Search PubMed clinical trials ozagrel
Search PubMed titles ozagrel
Search PubMed titles/abstracts ozagrel
UniChem Compound Search for chemical match using the InChIKey SHZKQBHERIJWAO-AATRIKPKSA-N
UniChem Connectivity Search for chemical match using the InChIKey SHZKQBHERIJWAO-AATRIKPKSA-N