| Compound Information | SONAR Target prediction |
| Name: | Tubocurarine chloride pentahydrate (+) |
| Unique Identifier: | Prest489 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C37Cl2H53N2O11 |
| Molecular Weight: | 721.324 g/mol |
| X log p: | 22.267 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 40.16 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | [ClH-].O.O.O.O.O.Cl.COc1cc2CCN(C)C3Cc4cccc(Oc5c(O)c(OC)cc6CC[N+](C)(C) C(Cc7ccc(O)c(Oc1cc32)c7)c65)c4 |
| Generic_name: | Tubocurarine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451811 |
| Drugbank_id: | APRD00176 |
| Cas_registry_number: | 6989-98-6 |
| Drug_category: | Neuromuscular Nondepolarizing Agents; Skeletal Muscle Relaxants; ATC:M03AA02; ATC:M03AA04 |
| Indication: | Used as a diagnosis agent for myasthenia gravis; Used to facilitate the intubation after induction of anesthesia in surgical procedure |
| Pharmacology: | Tubocurarine, a naturally occurring alkaloid, is used to treat smoking withdrawl syndrom. |
| Mechanism_of_action: | Tubocurarine, the chief alkaloid in tobacco products, binds stereo-selectively to nicotinic-cholinergic receptors at the autonomic ganglia, in the adrenal medulla, at neuromuscular junctions, and in the brain. Two types of central nervous system effects are believed to be the basis of Tubocurarine-s positively reinforcing properties. A stimulating effect is exerted mainly in the cortex via the locus ceruleus and a reward effect is exerted in the limbic system. At low doses the stimulant effects predominate while at high doses the reward effects predominate. Intermittent intravenous administration of Tubocurarine activates neurohormonal pathways, releasing acetylcholine, norepinephrine, dopamine, serotonin, vasopressin, beta-endorphin, growth hormone, and ACTH. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | << Back 1 2 3 |
| Species: | 9606 |
| Condition: | TMPPre003 |
| Replicates: | 2 |
| Raw OD Value: r im | 17826.0000±0 |
| Normalized OD Score: sc h | 1.0007±0 |
| Z-Score: | 0.0188±0 |
| p-Value: | 0.984978 |
| Z-Factor: | -6.75809 |
| Fitness Defect: | 0.0151 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 60 | 1 2 3 4 5 6 7 8 9 10 Next >> |
| 1210 |
| 1211 |
| 6000 |
| 14947 |
| 23422 |
| 64645 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 3866 | Additional Members: 5 | Rows returned: 0 |
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