compound 30 [PMID: 16455256]

Ligand id: 8813

Name: compound 30 [PMID: 16455256]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 122.29
Molecular weight 492.18
XLogP 2.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Monocarboxylate transporter 1 Inhibitor Inhibition 8.3 pKi - 1
pKi 8.3 (Ki 4.8x10-9 M) Compound 30 is a channel blocker. [1]