HM50316

Ligand id: 8788

Name: HM50316

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 92.59
Molecular weight 514.11
XLogP 9.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid
Synonyms
compound 5g [PMID: 21481589] | HM 50316
Database Links
ChEMBL Ligand CHEMBL1782969
PubChem CID 49872404
Search Google for chemical match using the InChIKey HOACFVYJBHHSBC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HOACFVYJBHHSBC
Search UniChem for chemical match using the InChIKey HOACFVYJBHHSBC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HOACFVYJBHHSBC
Comments
HM50316 is a potent and selective inhibitor of human adipocyte fatty acid-binding protein [1].