compound 27 [PMID: 26938474]

Ligand id: 9084

Name: compound 27 [PMID: 26938474]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 140.46
Molecular weight 293
XLogP 0.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
Database Links
PubChem CID 118797287
RCSB PDB Ligand 68C
Search Google for chemical match using the InChIKey CDWYKQOLMLZLKK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CDWYKQOLMLZLKK
Search UniChem for chemical match using the InChIKey CDWYKQOLMLZLKK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CDWYKQOLMLZLKK
Comments
Compound 27 is an inhibitor of branched chain aminotransferase 2 (BCAT2, a.k.a. BCATm) [1]. GSK identified this molecule in a fragment screening and SAR study to identify BCAT2 inhibitors, which they suggest may have anti-obesity potential.