compound 29e [PMID: 23631440]

Ligand id: 8578

Name: compound 29e [PMID: 23631440]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 151.99
Molecular weight 505.17
XLogP 3.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide
Database Links
ChEMBL Ligand CHEMBL2380402
PubChem CID 46175162
Search Google for chemical match using the InChIKey MUWDEQLPHWVPPA-GOTSBHOMSA-N
Search Google for chemicals with the same backbone MUWDEQLPHWVPPA
Search UniChem for chemical match using the InChIKey MUWDEQLPHWVPPA-GOTSBHOMSA-N
Search UniChem for chemicals with the same backbone MUWDEQLPHWVPPA
Comments
Compound 29e is reported as an inhibitor of matrix metallopeptidases, with high affinity for MMP9 and MMP14 [1].