compound 2 [PMID: 11934595]

Ligand id: 8562

Name: compound 2 [PMID: 11934595]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 151.02
Molecular weight 490.09
XLogP 3.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
Database Links
ChEMBL Ligand CHEMBL282896
GtoPdb PubChem SID 252166763
PubChem CID 44274134
Search Google for chemical match using the InChIKey PGEHBYYTLWHQOM-LJQANCHMSA-N
Search Google for chemicals with the same backbone PGEHBYYTLWHQOM
Search UniChem for chemical match using the InChIKey PGEHBYYTLWHQOM-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone PGEHBYYTLWHQOM
Comments
Compound 2 is reported as an inhibitor of bone morphogenetic protein 1 (BMP1), or procollagen C-proteinase in this referenced article [1]. BMP1 is considered a druggable molecular target for the development of anti-fibrotic agents because collagen substrates are involved in forming functional collagen fibrils.