Ligand id: 8431

Name: DR-4004

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 386.24
XLogP 6.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
pKi for rat cortical 5-HT2 receptors is 7.01 [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Hs Antagonist Antagonist 8.7 pKi - 1-2
pKi 8.7 (Ki 2x10-9 M) [1-2]