Molecule Details
| InChIKey | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Haloperidol |
| Canonical SMILES | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 33 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00502 |
|---|---|
| Drug Name | Haloperidol |
| CAS Number | 52-86-8 |
| Groups | approved investigational |
| ATC Codes | N05AD01 |
| Description | Haloperidol is a high potency first-generation (typical) antipsychotic and one of the most frequently used antipsychotic medications used worldwide.[A180616] While haloperidol has demonstrated pharmacologic activity at a number of receptors in the brain,[A27477] it exerts its antipsychotic effect th... |
Categories: Agents that reduce seizure threshold Anti-Dyskinesia Agents Antidepressive Agents Antiemetics Antipsychotic Agents Antipsychotic Agents (First Generation [Typical]) Autonomic Agents Butyrophenone Derivatives Butyrophenones Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Antagonists Dopamine D2 Receptor Antagonists Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted Gastrointestinal Agents Hyperglycemia-Associated Agents Ketones Moderate Risk QTc-Prolonging Agents NMDA Receptor Antagonists Nervous System Neurotoxic agents Neurotransmitter Agents P-glycoprotein inhibitors P-glycoprotein substrates Peripheral Nervous System Agents Photosensitizing Agents Psycholeptics Psychotropic Drugs QTc Prolonging Agents Serotonin 5-HT1 Receptor Antagonists Serotonin 5-HT1A Receptor Antagonists Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2A Receptor Antagonists Serotonin 5-HT2C Receptor Antagonists Serotonin Agents Serotonin Receptor Antagonists Tranquilizing Agents UGT1A9 Substrates
Cross-references: BindingDB: 50019951 ChEBI: 5613 CHEMBL54 ChemSpider: 3438 Drugs Product Database (DPD): 10146 Guide to Pharmacology: 86 IUPHAR: 86 C01814 D00136 PDB: GMJ PharmGKB: PA449841 PubChem:3559 PubChem:46508794 RxCUI: 5093 Therapeutic Targets Database: DAP000313 Wikipedia: Haloperidol ZINC: ZINC000000537822
Target Activities (33)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 8.5 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.2 | pIC50 | TTD_MultiTarget |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 7.7 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 7.5 | IC50 | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.4 | Ki | BindingDB |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| Q15125 | EBP | Homo sapiens | Human | PF05241 | 6.7 | Ki | ChEMBL;BindingDB |
| P08183 | ABCB1 | Homo sapiens | Human | PF00664 PF00005 | 6.7 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P07305 | H1-0 | Homo sapiens | Human | PF00538 | 6.1 | Ki | BindingDB |
| 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 |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P32352 | ERG2 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF04622 | 9.3 | Ki | ChEMBL;BindingDB |
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 7.0 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 7.0 | Ki | ChEMBL |
| P9WFK7 | eis | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF17668 PF13527 PF13530 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (32)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P16152 | CBR1 | Carbonyl reductase [NADPH] 1 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | antagonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | antagonist | targets |
| P14416 | DRD2 | D(2) dopamine receptor | antagonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | 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 |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | antagonist | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | 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 |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | antagonist | targets |
| Q13224 | GRIN2B | Glutamate receptor ionotropic, NMDA 2B | antagonist | targets |
| Q99720 | SIGMAR1 | Sigma non-opioid intracellular receptor 1 | antagonist | targets |
| Q05940 | SLC18A2 | Synaptic vesicular amine transporter | inhibitor | targets |
| Q99705 | MCHR1 | Melanin-concentrating hormone receptor 1 | inhibitor | targets |
| P35462 | DRD3 | D(3) dopamine receptor | inverse agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |