| Compound Information | SONAR Target prediction |
| Name: | Apomorphine hydrochloride hemihydrate |
| Unique Identifier: | LOPAC 01342 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C17ClH18NO2 |
| Molecular Weight: | 285.64 g/mol |
| X log p: | 11.212 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 3.24 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | Cl.CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c13 |
| Class: | Dopamine |
| Action: | Agonist |
| Generic_name: | Apomorphine |
| Drug_type: | Approved Drug |
| Drugbank_id: | APRD00531 |
| H2o_solubility: | 1.66E+004 mg/L |
| Logp: | 3.03 |
| Isoelectric_point: | 8.92 |
| Cas_registry_number: | 41372-20-7 |
| Drug_category: | Antiparkinson Agents; Dopamine Agonists; Antidyskinetics; ATC:G04BE07; ATC:N04BC07 |
| Indication: | For the acute, intermittent treatment of hypomobility, off episodes (end-of-dose wearing off and unpredictable on/off episodes) associated with advanced Parkinson-s disease. |
| Pharmacology: | Apomorphine is a type of dopaminergic agonist, a morphine derivative which primarily affects the hypothalamic region of the brain. Drugs containing this substance are sometimes used in the treatment of Parkinson-s disease or erectile dysfunction. In higher doses it is a highly effective emetic. |
| Mechanism_of_action: | The precise mechanism of action of apomorphine as a treatment for Parkinson-s disease is unknown, although it is believed to be due to stimulation of post-synaptic dopamine D2-type receptors within the brain. Apomorphine has been shown to improve motor function in an animal model of Parkinson-s disease. In particular, apomorphine attenuates the motor deficits induced by lesions in the ascending nigrostriatal dopaminergic pathway with the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) in primates. |
| Organisms_affected: | Humans and other mammals |
| Found: 11 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> |
| Species: | 4932 |
| Condition: | CIN2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.2621±0.255973 |
| Normalized OD Score: sc h | 0.3105±0.303695 |
| Z-Score: | -51.3570±17.9462 |
| p-Value: | 0 |
| Z-Factor: | -0.381202 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 14 | 1 2 3 Next >> |
| 2215 |
| 6005 |
| 9410 |
| 107882 |
| 736083 |
| 3046132 |
| internal high similarity DBLink | Rows returned: 6 |
| LOPAC 00267 | 0.9187 |
| LOPAC 00270 | 0.9187 |
| LOPAC 00257 | 0.9363 |
| LOPAC 00265 | 0.9363 |
| LOPAC 00266 | 0.9800 |
| SPE01500129 | 1.0000 |
| active | Cluster 14460 | Additional Members: 5 | Rows returned: 2 |
| LOPAC 00270 | 0.369230769230769 |
| SPE01500129 | 0 |
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