Molecule Details
| InChIKey | DQCKKXVULJGBQN-XFWGSAIBSA-N |
|---|---|
| Compound Name | Naltrexone |
| Canonical SMILES | O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.0 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00704 |
|---|---|
| Drug Name | Naltrexone |
| CAS Number | 16590-41-3 |
| Groups | approved investigational vet_approved |
| ATC Codes | N02AA56 N07BB04 A08AA62 |
| Description | Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of naloxone. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alc... |
Categories: Agents Causing Muscle Toxicity Alcohol Deterrents Alimentary Tract and Metabolism Alkaloids Analgesics Antiobesity Preparations, Excl. Diet Products Central Nervous System Agents Centrally Acting Antiobesity Products Drugs Used in Addictive Disorders Drugs Used in Alcohol Dependence Hepatotoxic Agents Heterocyclic Compounds, Fused-Ring Morphinans Natural Opium Alkaloids Nervous System Opiate Alkaloids Opiate Antagonists Opioid Antagonists Opioids Peripheral Nervous System Agents Phenanthrenes Sensory System Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome UGT1A1 Substrates
Cross-references: BindingDB: 60212 ChEBI: 7465 CHEMBL19019 ChemSpider: 4514524 Drugs Product Database (DPD): 20300 C07253 D05113 PharmGKB: PA450588 PubChem:5360515 PubChem:46505333 RxCUI: 7243 Therapeutic Targets Database: DAP000379 Wikipedia: Naltrexone ZINC: ZINC000000001773
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 9.2 | Ki | ChEMBL;BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P35372 | OPRM1 | Mu-type opioid receptor | antagonist | targets |
| P41143 | OPRD1 | Delta-type opioid receptor | antagonist | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | antagonist | targets |
| Q99720 | SIGMAR1 | Sigma non-opioid intracellular receptor 1 | antagonist | targets |