farglitazar   Click here for help

GtoPdb Ligand ID: 2672

Synonyms: GI-262570X
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 101.66
Molecular weight 546.22
XLogP 7.13
No. Lipinski's rules broken 2
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Canonical SMILES OC(=O)C(Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
Isomeric SMILES OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
8064 farglitazar
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 50085044
CAS Registry No. 196808-45-4 (source: Scifinder)
ChEMBL Ligand CHEMBL107367
GtoPdb PubChem SID 135650251
PubChem CID 170364
RCSB PDB Ligand 570
Search Google for chemical match using the InChIKey ZZCHHVUQYRMYLW-HKBQPEDESA-N
Search Google for chemicals with the same backbone ZZCHHVUQYRMYLW
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SynPHARM 6362 (in complex with Peroxisome proliferator-activated receptor-γ)
UniChem Compound Search for chemical match using the InChIKey ZZCHHVUQYRMYLW-HKBQPEDESA-N
UniChem Connectivity Search for chemical match using the InChIKey ZZCHHVUQYRMYLW-HKBQPEDESA-N
Wikipedia Farglitazar