NEFAZODONE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 27X63J94GR
Parent Compound: NEFAZODONE

Structure
InChI Key DYCKFEBIOUQECE-UHFFFAOYSA-N
Smile CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl
InChI
InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H33Cl2N5O2
Molecular Weight 506.48
AlogP 3.55
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 55.53
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 5.097
Enzyme
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -19.45--6.58
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 3.68
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 12.97
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
- 3479.24 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 6596.49 - - 0.27
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1370.88
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 326.32 6.13
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 124.91
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1092.07 100.46
Membrane receptor Family A G protein-coupled receptor
- 3388.59 - 1092.07 0.27
Membrane receptor
- 3388.59 - 1092.07 0.27
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 175.27 78.66
Unclassified protein
- 3674.38 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.62
Nervous system disorders
11.34
Psychiatric disorders
10.08
Gastrointestinal disorders
9.45
Musculoskeletal and connective tissue disorders
8.19
Cardiac disorders
6.93
Immune system disorders
6.17
Vascular disorders
5.67
Endocrine disorders
5.42
Injury, poisoning and procedural complications
5.04
Metabolism and nutrition disorders
4.79
Infections and infestations
3.15
Eye disorders
2.52
Investigations
2.52

Cross References

Resources Reference
ChEBI 7495
ChEMBL CHEMBL1200492
EPA CompTox DTXSID8046088
FDA SRS 27X63J94GR
Guide to Pharmacology 7247
KEGG C07256
PubChem 54911
SureChEMBL SCHEMBL41119
ZINC ZINC00538065
CONTENTS