compound 8d [PMID: 15027864]

Ligand id: 8659

Name: compound 8d [PMID: 15027864]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 173.26
Molecular weight 354.11
XLogP -0.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
Compound 8d reduces the response to inflammatory pain in an in vivo rat model [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Folate hydrolase (prostate-specific membrane antigen) 1 Hs Inhibitor Inhibition 8.5 pKi - 1
pKi 8.5 (Ki 3x10-9 M) [1]