Compound Detail
CHEMBL1113
AMOXAPINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1113 |
| Name | AMOXAPINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | QWGDMFLQWFTERH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
32
Targets
71
Activities
3
Assay Types
1
PK Parameters
20
Publications
10
Known Names
1
Indications
3
Mechanisms
Molecular Properties
313.8
MW (Da)
3.43
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1980 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin transporter inhibitor | INHIBITOR | Sodium-dependent serotonin transporter | ✓ | ✓ |
| Norepinephrine transporter inhibitor | INHIBITOR | Sodium-dependent noradrenaline transporter | ✓ | ✓ |
| Dopamine receptor antagonist | ANTAGONIST | Dopamine receptor | ✓ | ✓ |
Indications
Depressive Disorder
ATC Classification
N06AA17
amoxapine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Drug Warnings
Black Box Warning
psychiatric toxicity
Activity Summary
IC50 41 meas. best 8.81
Ki 29 meas. best 9.35
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.35 | 9.05 | 0.4 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.3 | 6.245 | 50.0 | 4 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.08 | 6.04 | 83.0 | 5 |
| Histamine H1 receptor CHEMBL231 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.84 | 6.84 | 144.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.71 | 6.71 | 196.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.66 | 6.66 | 221.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.62 | 6.62 | 242.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.59 | 6.59 | 255.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.54 | 6.54 | 287.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.51 | 6.51 | 306.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.45 | 6.45 | 357.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.42 | 6.42 | 378.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 6.41 | 6.41 | 392.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.34 | 6.34 | 461.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.31 | 6.31 | 493.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.25 | 6.25 | 558.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.21 | 6.21 | 615.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 6.07 | 6.07 | 856.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.03 | 6.03 | 933.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.94 | 5.1425 | 1140.0 | 8 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.92 | 5.92 | 1192.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.88 | 5.88 | 1314.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 5.76 | 5.76 | 1737.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.75 | 5.75 | 1781.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.58 | 5.58 | 2623.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.5 | 5.5 | 3174.0 | 1 |
| Salmonella typhimurium CHEMBL351 | EC50 | 5.14 | 5.14 | 7250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.01 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine