Molecule Details
| InChIKey | UZHSEJADLWPNLE-GRGSLBFTSA-N |
|---|---|
| Compound Name | Naloxone |
| Canonical SMILES | C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.89 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01183 |
|---|---|
| Drug Name | Naloxone |
| CAS Number | 465-65-6 |
| Groups | approved investigational vet_approved |
| ATC Codes | A06AH04 N02AA53 N02AD51 V03AB15 N02AA55 N02AX51 |
| Description | Naloxone is an opioid antagonist medication used to block or reverse the effects of opioid drugs, particularly within the setting of drug overdoses which are rapidly becoming a leading cause of death worldwide.[A234594] More specifically, naloxone has a high affinity for μ-opioid receptors, where it... |
Categories: Alimentary Tract and Metabolism Alkaloids Analgesics Antidotes Benzomorphan Derivatives Central Nervous System Agents Cytochrome P-450 CYP2C18 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Constipation Drugs that are Mainly Renally Excreted Heterocyclic Compounds, Fused-Ring Morphinans Natural Opium Alkaloids Nervous System Opiate Alkaloids Opiate Antagonists Opioid Antagonists P-glycoprotein substrates Peripheral Nervous System Agents Peripheral Opioid Receptor Antagonists Phenanthrenes Sensory System Agents UGT1A1 Substrates
Cross-references: BindingDB: 579486 ChEBI: 7459 CHEMBL80 ChemSpider: 4447644 Drugs Product Database (DPD): 2474 Guide to Pharmacology: 1676 IUPHAR: 1676 C07252 D08249 PDB: A1APV PharmGKB: PA450586 PubChem:5284596 PubChem:46508816 RxCUI: 7242 Therapeutic Targets Database: DAP000097 Wikipedia: Naloxone ZINC: ZINC000000389747
Target Activities (3)
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P33260 | CYP2C18 | Cytochrome P450 2C18 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P03372 | ESR1 | Estrogen receptor | antagonist | targets |
| P35372 | OPRM1 | Mu-type opioid receptor | antagonist | targets |
| P41143 | OPRD1 | Delta-type opioid receptor | antagonist | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | antagonist | targets |
| P23141 | CES1 | Liver carboxylesterase 1 | binder | targets |
| O00206 | TLR4 | Toll-like receptor 4 | inhibitor | targets |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |