Compound Detail
CHEMBL621
TRAZODONE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL621 |
| Name | TRAZODONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PHLBKPHSAVXXEF-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
23
Targets
46
Activities
4
Assay Types
25
PK Parameters
20
Publications
4
Known Names
12
Indications
Molecular Properties
371.9
MW (Da)
2.36
ALogP
6
HBA
0
HBD
45.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1981 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Depressive Disorder Depressive Disorder Alzheimer Disease Anxiety Dementia Schizophrenia Sleep Initiation and Maintenance Disorders Sleep Wake Disorders Alcoholism Diabetic Neuropathies Depression, Postpartum Sleep Apnea, Obstructive
ATC Classification
N06AX05
trazodone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 23 meas. best 7.77
Ki 20 meas. best 8.25
Kd 2 meas. best 5.26
EC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.7 | 7.155 | 20.0 | 2 |
| Histamine H1 receptor CHEMBL231 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.17 | 7.15 | 68.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.99 | 6.99 | 102.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.93 | 6.93 | 118.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.75 | 6.75 | 178.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.75 | 6.7 | 178.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.72 | 6.72 | 192.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.58 | 6.58 | 265.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.55 | 6.55 | 282.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.55 | 6.55 | 281.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.51 | 6.51 | 311.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.47 | 6.47 | 341.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 6.44 | 6.44 | 361.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.11 | 6.11 | 785.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.08 | 6.08 | 830.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.08 | 5.895 | 826.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.04 | 6.04 | 909.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.03 | 6.03 | 926.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.9 | 5.9 | 1271.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 5.87 | 5.87 | 1356.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.705 | 1342.0 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.71 | 5.71 | 1942.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.66 | 5.66 | 2203.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.43 | 5.43 | 3743.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.35 | 5.35 | 4485.0 | 1 |
| ADMET CHEMBL612558 | Kd | 5.26 | 5.26 | 5470.0 | 1 |
| Albumin CHEMBL4817 | Kd | 5.1 | 5.1 | 7950.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 32.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 12.2 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 1.81 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 5060.0 | nM | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| Fu | 0.07 | - | - |
| Fu | 0.03 | - | - |
| Fu | 0.07 | - | Homo sapiens |
| Fu | 0.077 | - | Homo sapiens |
| Fu | 0.055 | - | Rattus norvegicus |
| Fu | 0.057 | - | Sus scrofa |
| Fu | 0.082 | - | Macaca fascicularis |
| Fu | 0.066 | - | Canis lupus familiaris |
| Fu | 0.059 | - | Cavia porcellus |
| Fu | 0.086 | - | Mus musculus |
| Fu | 0.062 | - | Rattus norvegicus |
| Fu | 0.0437 | - | Rattus norvegicus |
| Fu | 0.085 | - | Rattus norvegicus |
| Fu | 0.061 | - | Not specified |
| Fu | 0.98 | - | Homo sapiens |
| MRT | 6.2 | hr | Homo sapiens |
| T1/2 | 7.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine