compound 1 [PMID: 24900526]

Ligand id: 7870

Name: compound 1 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 91.85
Molecular weight 291.06
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug compound 5 [PMID: 24900526]
IUPAC Name
2-[(4-phenylphenyl)sulfonylamino]acetic acid
Synonyms
Database Links
ChEMBL Ligand CHEMBL1335679
PubChem CID 893637
Search Google for chemical match using the InChIKey ZIAFXLGSGMQYPL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZIAFXLGSGMQYPL
Search UniChem for chemical match using the InChIKey ZIAFXLGSGMQYPL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZIAFXLGSGMQYPL
Comments
MMP12 inhibitor (compound 1) from predrug compound 3 [PMID: 24900526] converted to prodrug compound 5 [PMID: 24900526] [1]