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
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.
Database Links
CAS Registry No. 682741-29-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1077990
GtoPdb PubChem SID 178103347
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)