Molecule Details
| InChIKey | TTWJBBZEZQICBI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Metoclopramide |
| Canonical SMILES | CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01233 |
|---|---|
| Drug Name | Metoclopramide |
| CAS Number | 364-62-5 |
| Groups | approved investigational |
| ATC Codes | A03FA01 |
| Description | Diabetic gastroparesis is a condition that causes frequent nausea and vomiting, which has a negative impact on quality of life and poses a significant burden on the healthcare system.[A184934] Metoclopramide is a dopamine antagonist used to treat nausea and vomiting that may be associated with diabe... |
Categories: Acids, Carbocyclic Agents Causing Muscle Toxicity Alimentary Tract and Metabolism Amides Aminobenzoates Antiemetics Autonomic Agents Benzamides and benzamide derivatives Benzoates Central Nervous System Agents Central Nervous System Depressants Chlorobenzoates Cholinesterase Inhibitors Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Antagonists Dopamine D2 Receptor Antagonists Drugs for Functional Gastrointestinal Disorders Drugs that are Mainly Renally Excreted Gastrointestinal Agents Hydroxybenzoates Methemoglobinemia Associated Agents Neurotransmitter Agents P-glycoprotein substrates Peripheral Nervous System Agents Potential QTc-Prolonging Agents Prokinetic Agents Propulsives QTc Prolonging Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome para-Aminobenzoates
Cross-references: BindingDB: 50000491 ChEBI: 107736 CHEMBL86 ChemSpider: 4024 Drugs Product Database (DPD): 3776 Guide to Pharmacology: 241 IUPHAR: 241 C07868 D00726 PharmGKB: PA450475 PubChem:4168 PubChem:46505631 RxCUI: 6915 Therapeutic Targets Database: DAP000530 Wikipedia: Metoclopramide ZINC: ZINC000001530716
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| A5X5Y0 | HTR3E | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Kd | ChEMBL |
| O95264 | HTR3B | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Kd | ChEMBL |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Kd | ChEMBL |
| Q70Z44 | HTR3D | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Kd | ChEMBL |
| Q8WXA8 | HTR3C | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Kd | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P05164 | MPO | Homo sapiens | Human | PF03098 | 6.5 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | agonist | targets |
| Q13639 | HTR4 | 5-hydroxytryptamine receptor 4 | agonist | targets |
| P14416 | DRD2 | D(2) dopamine receptor | antagonist | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |