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
GtoPdb PubChem SID 252166850
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].