compound 1a [PMID: 25692029]

Ligand id: 9091

Name: compound 1a [PMID: 25692029]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 139.53
Molecular weight 418.17
XLogP 3.01
No. Lipinski's rules broken 0

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
Neutral endopeptidase Hs Inhibitor Inhibition 8.9 pKi - 1-2
pKi 8.9 (Ki 1.4x10-9 M) [1-2]
Aminopeptidase N Hs Inhibitor Inhibition 8.5 pKi - 1-2
pKi 8.5 (Ki 2.9x10-9 M) [1-2]
Leukotriene A4 hydrolase Hs Inhibitor Inhibition 8.3 pKi - 1,3
pKi 8.3 (Ki 5.4x10-9 M) [1,3]