| Compound Information | SONAR Target prediction |
| Name: | Naltrexone hydrochloride |
| Unique Identifier: | LOPAC 00457 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C20ClH24NO4 |
| Molecular Weight: | 353.671 g/mol |
| X log p: | 3.159 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 29.54 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | Cl.Oc1ccc2CC3N(CCC45C(Oc1c24)C(=O)CCC35O)CC1CC1 |
| Class: | Opioid |
| Action: | Antagonist |
| Generic_name: | Naltrexone |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450588 |
| Kegg_compound_id: | C07253 |
| Drugbank_id: | APRD00005 |
| Melting_point: | 169-170 oC (274-276 oC for hydrochloride salt) |
| H2o_solubility: | 100 mg/mL (as hydrochloride salt) |
| Logp: | 1.692 (1.92 by expt) |
| Cas_registry_number: | 16590-41-3 |
| Drug_category: | Anti-craving Agents; Depressants; Alcohol Antagonists; Opiate Antagonists; ATC:N07BB04 |
| Indication: | For use in the treatment of alcohol dependence and for the blockade of the effects of exogenously administered opioids. |
| Pharmacology: | Naltrexone, a pure opioid antagonist, is a synthetic congener of oxymorphone with no opioid agonist properties. Naltrexone is indicated in the treatment of alcohol dependence and for the blockade of the effects of exogenously administered opioids. It markedly attenuates or completely blocks, reversibly, the subjective effects of intravenously administered opioids. When co-administered with morphine, on a chronic basis, naltrexone blocks the physical dependence to morphine, heroin and other opioids. In subjects physically dependent on opioids, naltrexone will precipitate withdrawal symptomatology. |
| Mechanism_of_action: | Naltrexone binds to the opioid mu receptor antagonistically, thereby preventing conventional opiate (heroin, morphine) drugs from binding and inducing opioid neural responses. The mechanism of action of naltrexone in alcoholism is not understood; however, involvement of the endogenous opioid system is suggested by preclinical data. Naltrexone competitively binds to such receptors and may block the effects of endogenous opioids. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | BY4741 |
| Replicates: | 8 |
| Raw OD Value: r im | 0.7715±0.0801776 |
| Normalized OD Score: sc h | 1.0088±0.0144358 |
| Z-Score: | 0.3205±0.437307 |
| p-Value: | 0.748744 |
| Z-Factor: | -6.018 |
| Fitness Defect: | 0.2894 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 20 | 1 2 3 4 Next >> |
| 4428 |
| 4639 |
| 625510 |
| 5257865 |
| 5284604 |
| 5359270 |
| internal high similarity DBLink | Rows returned: 4 |
| LOPAC 00456 | 0.9453 |
| SPE01500422 | 0.9461 |
| LOPAC 00472 | 0.9744 |
| SPE01503262 | 1.0000 |
| active | Cluster 991 | Additional Members: 12 | Rows returned: 2 |
| Prest344 | 0.4125 |
| Prest879 | 0.188405797101449 |
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