compound 20 [PMID: 23692593]

Ligand id: 8486

Name: compound 20 [PMID: 23692593]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 10
Rotatable bonds 32
Topological polar surface area 275.3
Molecular weight 783.33
XLogP 1.82
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
kallikrein related peptidase 3 Hs Inhibitor Inhibition 7.1 pKi - 1
pKi 7.1 (Ki 7.2x10-8 M) [1]
Description: PSA isolated from human seminal plasma.