Molecule Details
| InChIKey | QZUDBNBUXVUHMW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Clozapine |
| Canonical SMILES | CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 39 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00363 |
|---|---|
| Drug Name | Clozapine |
| CAS Number | 5786-21-0 |
| Groups | approved investigational |
| ATC Codes | N05AH02 |
| Description | Clozapine is a tricyclic dibenzodiazepine, classified as an atypical antipsychotic agent.[A256708] Clozapine displays affinity to various neuroreceptors with a particularly low affinity to the dopamine receptors, thus breaking the mold of first-generation antipsychotics and deeming it "atypical".[A2... |
Categories: Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents producing tachycardia Agents that produce hypertension Agents that reduce seizure threshold Anticholinergic Agents 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 CYP2A6 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Diazepines, Oxazepines, Thiazepines and Oxepines Dibenzazepines Dopamine Antagonists Dopamine D2 Receptor Antagonists Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted GABA Agents GABA Antagonists Heterocyclic Compounds, Fused-Ring Histamine Antagonists Histamine H1 Antagonists Hyperglycemia-Associated Agents Hypotensive Agents Moderate Risk QTc-Prolonging Agents Muscarinic Antagonists Nervous System Neurotoxic agents Neurotransmitter Agents OCT1 substrates P-glycoprotein substrates Photosensitizing Agents Psycholeptics Psychotropic Drugs QTc Prolonging Agents Serotonin 5-HT1 Receptor Antagonists Serotonin 5-HT1A Receptor Antagonists Serotonin 5-HT1D Receptor Antagonists Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2A Receptor Antagonists Serotonin 5-HT2C Receptor Antagonists Serotonin Agents Serotonin Receptor Antagonists Tranquilizing Agents UGT1A4 substrates
Cross-references: BindingDB: 50001884 ChEBI: 3766 CHEMBL42 ChemSpider: 10442628 Drugs Product Database (DPD): 1196 Guide to Pharmacology: 38 IUPHAR: 38 C06924 D00283 PDB: VBU PharmGKB: PA449061 PubChem:2818 PubChem:46506474 RxCUI: 2626 Therapeutic Targets Database: DAP000029 Wikipedia: Clozapine ZINC: ZINC000019796155
Target Activities (39)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07305 | H1-0 | Homo sapiens | Human | PF00538 | 9.0 | Ki | BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| Q9H3N8 | HRH4 | Homo sapiens | Human | PF00001 | 7.4 | Kd | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | pIC50 | TTD_MultiTarget |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 6.7 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.5 | IC50 | ChEMBL;BindingDB |
| A5X5Y0 | HTR3E | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | ChEMBL |
| O95264 | HTR3B | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.4 | IC50 | ChEMBL |
| Q70Z44 | HTR3D | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | ChEMBL |
| Q8WXA8 | HTR3C | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | ChEMBL |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q9Y5K5 | UCHL5 | Homo sapiens | Human | PF01088 PF18031 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (53)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P22310 | P22310 | UDP-glucuronosyltransferase 1A4 | substrate | enzymes |
| P31513 | P31513 | Flavin-containing monooxygenase 3 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q9H3N8 | HRH4 | Histamine H4 receptor | agonist | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | antagonist | targets |
| P08912 | CHRM5 | Muscarinic acetylcholine receptor M5 | antagonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | antagonist | targets |
| P14416 | DRD2 | D(2) dopamine receptor | antagonist | targets |
| P14867 | GABRA1 | Gamma-aminobutyric acid receptor subunit alpha-1 | antagonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | antagonist | targets |
| P18505 | GABRB1 | Gamma-aminobutyric acid receptor subunit beta-1 | antagonist | targets |
| P18825 | ADRA2C | Alpha-2C adrenergic receptor | antagonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | antagonist | targets |
| P21728 | DRD1 | D(1A) dopamine receptor | antagonist | targets |
| P21917 | DRD4 | D(4) dopamine receptor | antagonist | targets |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | antagonist | targets |
| P28222 | HTR1B | 5-hydroxytryptamine receptor 1B | antagonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | antagonist | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | antagonist | targets |
| P28566 | HTR1E | 5-hydroxytryptamine receptor 1E | antagonist | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | antagonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | antagonist | targets |
| P35367 | HRH1 | Histamine H1 receptor | antagonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | antagonist | targets |
| P35462 | DRD3 | D(3) dopamine receptor | antagonist | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | antagonist | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | antagonist | targets |
| Q8N1C3 | GABRG1 | Gamma-aminobutyric acid receptor subunit gamma-1 | antagonist | targets |
| P09211 | GSTP1 | Glutathione S-transferase P | binder | targets |
| P21918 | DRD5 | D(1B) dopamine receptor | binder | targets |
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | partial agonist | targets |
| P08173 | CHRM4 | Muscarinic acetylcholine receptor M4 | partial agonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | partial agonist | targets |
| O75899 | GABBR2 | Gamma-aminobutyric acid type B receptor subunit 2 | positive modulator | targets |
| Q9UBS5 | GABBR1 | Gamma-aminobutyric acid type B receptor subunit 1 | positive modulator | targets |
| Q9NYX4 | Q9NYX4 | Neuron-specific vesicular protein calcyon | unknown | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | binder | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |
| O75751 | SLC22A3 | Solute carrier family 22 member 3 | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |