| Compound Information | SONAR Target prediction |
| Name: | (-)-3-Methoxynaltrexone hydrochloride |
| Unique Identifier: | LOPAC 00472 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C21ClH26NO4 |
| Molecular Weight: | 365.682 g/mol |
| X log p: | 3.512 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 38.77 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | Cl.COc1ccc2CC3N(CCC45C(Oc1c24)C(=O)CCC35O)CC1CC1 |
| Class: | Opioid |
| Action: | Antagonist |
| Generic_name: | Oxycodone |
| Chemical_iupac_name: | 4, 5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450741 |
| Kegg_compound_id: | C08018 |
| Drugbank_id: | APRD00387 |
| Melting_point: | 218-220 oC |
| H2o_solubility: | 100 mg/ml |
| Logp: | 0.993 |
| Cas_registry_number: | 76-42-6 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C76426&Index=0&Type=Mass&Large=on |
| Drug_category: | Narcotics; Antitussives; Analgesics, Opioid; Opiate Agonists; ATC:N02AA05 |
| Indication: | For the treatment of diarrhoea, pulmonary oedema; For the relief of moderate to moderately severe pain |
| Pharmacology: | Oxycodone, a semisynthetic opiate agonist derived from the opioid alkaloid, thebaine, is similar to other phenanthrene derivatives such as hydrocodone and morphine. Oxycodone is available in combination with aspirin or acetaminophen to control pain and restless leg and Tourette syndromes. |
| Mechanism_of_action: | Oxycodone acts as a weak agonist at OP1, OP2, and OP3 opiate receptors within the central nervous system (CNS). Oxycodone primarily affects OP3 receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as Oxycodone also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 21 22 23 24 Next >> [24] |
| Species: | 4932 |
| Condition: | tep1-2nd |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7977±0.00671751 |
| Normalized OD Score: sc h | 1.0039±0.00713044 |
| Z-Score: | 0.1454±0.268847 |
| p-Value: | 0.850794 |
| Z-Factor: | -13.9485 |
| Fitness Defect: | 0.1616 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 13 | 1 2 3 Next >> |
| 1246 |
| 4635 |
| 6445 |
| 627285 |
| 5284603 |
| 5462350 |
| internal high similarity DBLink | Rows returned: 4 |
| SPE01500422 | 0.9234 |
| LOPAC 00456 | 0.9317 |
| LOPAC 00457 | 0.9744 |
| SPE01503262 | 0.9747 |
| active | Cluster 991 | Additional Members: 12 | Rows returned: 2 |
| Prest344 | 0.4125 |
| Prest879 | 0.188405797101449 |
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