1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole

Ligand id: 3136

Name: 1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 37.05
Molecular weight 322.2
XLogP 5.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
squalene synthase Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.2x10-8 M) [1]
Description: in vitro. Rat and human liver microsomes assayed using the Amin technique.
Conditions: Substrate concentrations: 5µM FPP, 1mM NADPH. pH 7.5, 30°C. IC50 values determined by a single experimental run in duplicate.
Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
squalene synthase Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.6x10-8 M) [1]
Description: in vitro. Rat and human liver microsomes assayed using the Amin technique.
Conditions: Substrate concentrations: 5µM FPP, 1mM NADPH. pH 7.5, 30°C. IC50 values determined by a single experimental run in duplicate.