fenofibric acid   Click here for help

GtoPdb Ligand ID: 2662

Compound class: Synthetic organic
Comment: Fenofibric acid is the active metabolite of the approved drug fenofibrate.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 63.6
Molecular weight 318.07
XLogP 4.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C
Isomeric SMILES Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C
InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
InChI Key MQOBSOSZFYZQOK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Prodrug fenofibrate
IUPAC Name Click here for help
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
Database Links Click here for help
BindingDB Ligand 28700
CAS Registry No. 42017-89-0
ChEMBL Ligand CHEMBL981
DrugCentral Ligand 4505
GtoPdb PubChem SID 135650256
PubChem CID 64929
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