HTS01037

Ligand id: 6736

Name: HTS01037

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 149.18
Molecular weight 337.01
XLogP 2.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid
Synonyms
compound 1 [PMID: 19754198] [1] | HTS 01037
Database Links
CAS Registry No. 682741-29-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1077990
PubChem CID 5714537
Search Google for chemical match using the InChIKey GJODSFZNKNHKML-SNAWJCMRSA-N
Search Google for chemicals with the same backbone GJODSFZNKNHKML
Search UniChem for chemical match using the InChIKey GJODSFZNKNHKML-SNAWJCMRSA-N
Search UniChem for chemicals with the same backbone GJODSFZNKNHKML
SynPHARM 82981 (in complex with fatty acid binding protein 4)
Comments
HTS01037 is an inhibitor of fatty acid binding proteins (FABPs), which acts as an antagonist of protein-protein interactions mediated by FABPs, in particular adipocyte FABP [1]. The compound is a useful tool for delineating a FABP function in lipid metabolism in fat cells and inflammation in macrophages.