compound 45 [PMID: 8709105]

Ligand id: 8809

Name: compound 45 [PMID: 8709105]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 144.28
Molecular weight 558.29
XLogP 3.43
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
adenylyl cyclase 1 Bt Activator Activation 7.7 pIC50 - 1
pIC50 7.7 (IC50 2.1x10-8 M) [1]
Description: Measuring competitive inhibition of [125 I]6-IHPP-forskolin binding to adenylate cyclase 1.