Molecule Details
InChIKeyQZUDBNBUXVUHMW-UHFFFAOYSA-N
Compound NameClozapine
Canonical SMILESCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)39
Pfam Stratification Cross-Family
Avg pChEMBL7.2
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00363
Drug NameClozapine
CAS Number5786-21-0
Groups approved investigational
ATC Codes N05AH02
DescriptionClozapine 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