Ligand id: 7555

Name: modafinil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.37
Molecular weight 273.08
XLogP 3.3
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

Bioactivity Comments
There appears to be no publicly available bioactivity data for this drug at its human molecular target. We have not mapped a primary drug target in this instance.
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
DAT Rn Inhibitor Inhibition 5.4 pKi - 6
pKi 5.4 (Ki 3.8x10-6 M) [6]
Description: Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings using [3H]dopamine as radioligand