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
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.
Database Links
ChEMBL Ligand CHEMBL282896
GtoPdb PubChem SID 252166763
PubChem CID 44274134
RCSB PDB Ligand E8S
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