nefazodone

Ligand id: 7247

Name: nefazodone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 39.26
Molecular weight 469.22
XLogP 5.03
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 GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT2A receptor Antagonist Antagonist 8.2 pKi - 3
pKi 8.2 (Ki 5.8x10-9 M) [3]
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CYP3A4 Inhibitor Inhibition 6.0 pKi - 2,4
pKi 6.0 (Ki 1x10-6 M) [2,4]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
SERT Inhibitor Inhibition 6.7 pKd - 1
pKd 6.7 (Kd 2x10-7 M) [1]
NET Inhibitor Inhibition 6.4 pKd - 1
pKd 6.4 (Kd 3.6x10-7 M) [1]
Description: Dissociation constant of [3H]- nisoxatine vs. nefazodone.