compound 20 [PMID:12127536]

Ligand id: 8650

Name: compound 20 [PMID:12127536]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 192.11
Molecular weight 658.28
XLogP 4.28
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL71654
PubChem CID 44310146
Search Google for chemical match using the InChIKey UCXMBOHIKJZNMQ-GIYJSHOWSA-N
Search Google for chemicals with the same backbone UCXMBOHIKJZNMQ
Search UniChem for chemical match using the InChIKey UCXMBOHIKJZNMQ-GIYJSHOWSA-N
Search UniChem for chemicals with the same backbone UCXMBOHIKJZNMQ
Comments
Compound 20 is reported as an inhibitor of the serine protease, granzyme B (GZMB) [1].