Molecule Details
| InChIKey | HDOZVRUNCMBHFH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zotepine |
| Canonical SMILES | CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 26 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09225 |
|---|---|
| Drug Name | Zotepine |
| CAS Number | 26615-21-4 |
| Groups | approved withdrawn |
| ATC Codes | N05AX11 |
| Description | Zotepine, with the formula (2-chloro-11-(2-dimethyl-amino-ethoxy)-dibenzo thiepin, is a neuroleptic drug. It was designed and synthesized by Fujisawa Pharmaceutical Co Ltd.[A31855] It has been used as an antipsychotic in Japan, India and some places in Europe like UK and Germany since 1980's.[A31857... |
Categories: Antidepressive Agents Antipsychotic Agents Antipsychotic Agents (Second Generation [Atypical]) Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dopamine Antagonists Dopamine D2 Receptor Antagonists Heterocyclic Compounds, Fused-Ring Nervous System Neurotoxic agents Psycholeptics Psychotropic Drugs Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2A Receptor Antagonists Serotonin Agents Serotonin Receptor Antagonists Sulfur Compounds Thiepins Tranquilizing Agents
Cross-references: BindingDB: 35255 ChEBI: 32316 CHEMBL285802 ChemSpider: 5534 D01321 PDB: ZOT PubChem:5736 PubChem:310265131 RxCUI: 40003 Wikipedia: Zotepine ZINC: ZINC000000002264
Target Activities (26)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.5 | pIC50 | TTD_MultiTarget |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.7 | Ki | BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 7.3 | Ki | BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.2 | Ki | BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 7.1 | Ki | BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.2 | IC50 | ChEMBL |
| P20366 | TAC1 | Homo sapiens | Human | PF02202 | 6.0 | Ki | BindingDB |
| P21731 | TBXA2R | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P14416 | DRD2 | D(2) dopamine receptor | antagonist | targets |
| P21728 | DRD1 | D(1) dopamine receptor | antagonist | targets |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | antagonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | antagonist | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | antagonist | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | antagonist | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | antagonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inhibitor | targets |