compound 10 [PMID: 18790648]

Ligand id: 8665

Name: compound 10 [PMID: 18790648]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 20
Topological polar surface area 207.95
Molecular weight 728.24
XLogP 8.25
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2S)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-[(2-methoxyphenyl)sulfanylmethyl]-3-oxopropyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
Database Links
ChEMBL Ligand CHEMBL447457
PubChem CID 44580457
Search Google for chemical match using the InChIKey YDDMVPLLJTZTQL-LAABSITASA-N
Search Google for chemicals with the same backbone YDDMVPLLJTZTQL
Search UniChem for chemical match using the InChIKey YDDMVPLLJTZTQL-LAABSITASA-N
Search UniChem for chemicals with the same backbone YDDMVPLLJTZTQL
Comments
Compound 10 was discovered in a study aiming to identify selective matrix metalloproteinase (MMP) inhibitors [1]. Compound 10 is at least 100-fold selective for MMP11 compared to other MMPs tested.