Compound Detail
CHEMBL623
NEFAZODONE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL623 |
| Name | NEFAZODONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VRBKIVRKKCLPHA-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
20
Targets
27
Activities
4
Assay Types
16
PK Parameters
20
Publications
2
Known Names
3
Indications
Molecular Properties
470.0
MW (Da)
3.55
ALogP
7
HBA
0
HBD
55.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1994 |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Depressive Disorder Cocaine-Related Disorders Marijuana Abuse
ATC Classification
N06AX06
nefazodone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Drug Warnings
Withdrawn
hepatotoxicity
acute hepatic failure
Withdrawn
hepatotoxicity
life-threatening hepatotoxicity
Withdrawn
hepatotoxicity
acute hepatic failure
Activity Summary
IC50 12 meas. best 7.82
Ki 8 meas. best 8.24
Kd 4 meas. best 6.8
EC50 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 7.82 | 6.82 | 15.0 | 2 |
| Liver CHEMBL613642 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.86 | 6.86 | 137.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Kd | 6.8 | 6.8 | 158.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Kd | 6.7 | 6.7 | 200.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Kd | 6.44 | 6.44 | 360.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Kd | 6.44 | 6.44 | 360.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.98 | 5.98 | 1037.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.62 | 5.62 | 2380.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 5.38 | 5.224 | 4200.0 | 5 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Bile salt export pump CHEMBL2073674 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.37 | 4.37 | 42350.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6815.29 | ng.hr.mL-1 | Homo sapiens |
| CL | 7.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.5 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 6800.0 | nM | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
| Fu | 0.009 | - | - |
| Fu | 0.008 | - | - |
| Fu | 0.009 | - | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
| MRT | 1.1 | hr | Homo sapiens |
| T1/2 | 1.2 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine