bezafibrate   Click here for help

GtoPdb Ligand ID: 2668

Synonyms: Bezalip®
Approved drug PDB Ligand
bezafibrate is an approved drug
Compound class: Synthetic organic
Comment: Bezafibrate is a fibrate class anti-hyperlipidaemia drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 75.63
Molecular weight 361.11
XLogP 3.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C
Isomeric SMILES Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C
InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChI Key IIBYAHWJQTYFKB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
International Nonproprietary Names Click here for help
INN number INN
3968 bezafibrate
Synonyms Click here for help
Bezalip®
Database Links Click here for help
BindingDB Ligand 28701
CAS Registry No. 41859-67-0
ChEBI CHEBI:47612
ChEMBL Ligand CHEMBL264374
DrugBank Ligand DB01393
DrugCentral Ligand 362
GtoPdb PubChem SID 135649989
PubChem CID 39042
RCSB PDB Ligand PEM
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Wikipedia Bezafibrate