nefazodone

Ligand id: 7247

Name: nefazodone

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View more information in the IUPHAR Pharmacology Education Project: nefazodone

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 55.53
Molecular weight 469.22
XLogP 4.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Hs Antagonist Antagonist 8.2 pKi - 3
pKi 8.2 (Ki 5.8x10-9 M) [3]
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CYP3A4 Hs Inhibitor Inhibition 6.0 pKi - 2,4
pKi 6.0 (Ki 1x10-6 M) [2,4]
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 6.7 pKd - 1
pKd 6.7 (Kd 2x10-7 M) [1]
NET Hs Inhibitor Inhibition 6.4 pKd - 1
pKd 6.4 (Kd 3.6x10-7 M) [1]
Description: Dissociation constant of [3H]- nisoxatine vs. nefazodone.