Molecule Details
| InChIKey | WJBLNOPPDWQMCH-MBPVOVBZSA-N |
|---|---|
| Compound Name | Nalmefene |
| Canonical SMILES | C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.75 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06230 |
|---|---|
| Drug Name | Nalmefene |
| CAS Number | 55096-26-9 |
| Groups | approved investigational withdrawn |
| ATC Codes | N07BB05 |
| Description | Nalmefene, a 6-methylene analogue of [naltrexone], is an opioid receptor antagonist.[L40684] It acts as an antagonist at the mu (μ)-opioid and delta (δ)-opioid receptors and a partial agonist at the kappa (κ)-opioid receptor.[L1024] In Europe, nalmefene oral tablets are used to reduce alcohol consum... |
Categories: Alkaloids Antidotes Antipruritics Central Nervous System Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Drugs Used in Addictive Disorders Drugs Used in Alcohol Dependence Drugs that are Mainly Renally Excreted Heterocyclic Compounds, Fused-Ring Morphinans Nervous System Opiate Alkaloids Opioid Antagonists Peripheral Nervous System Agents Phenanthrenes Sensory System Agents UGT1A3 substrates UGT2B7 substrates
Cross-references: BindingDB: 50045776 ChEBI: 7457 CHEMBL982 ChemSpider: 4447642 C08027 D05111 RxCUI: 31479 Wikipedia: Nalmefene ZINC: ZINC000000403529
Target Activities (3)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| Q9HAW9 | Q9HAW9 | UDP-glucuronosyltransferase 1A8 | substrate | enzymes |
| P35372 | OPRM1 | Mu-type opioid receptor | antagonist | targets |
| P41143 | OPRD1 | Delta-type opioid receptor | antagonist | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | partial agonist | targets |