| Compound Information | SONAR Target prediction |
| Name: | DOPAMINE HYDROCHLORIDE |
| Unique Identifier: | SPE01500263 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 177.544 g/mol |
| X log p: | 6.242 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | Cl.NCCc1ccc(O)c(O)c1 |
| Source: | synthetic |
| Therapeutics: | cardiotonic, antihypotensive |
| Generic_name: | Dopamine |
| Chemical_iupac_name: | 4-(2-aminoethyl)benzene-1,2-diol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449396 |
| Kegg_compound_id: | C03758 |
| Drugbank_id: | APRD00085 |
| Melting_point: | 82.5 oC |
| H2o_solubility: | 1E+006 mg/L |
| Logp: | 0.548 |
| Isoelectric_point: | 8.93 |
| Cas_registry_number: | 51-61-6 |
| Drug_category: | Cardiotonic Agents; Sympathomimetic; ATC:C01CA04 |
| Indication: | For the correction of hemodynamic imbalances present in the shock syndrome due to myocardial infarction, trauma, endotoxic septicemia, open-heart surgery, renal failure, and chronic cardiac decompensation as in congestive failure |
| Pharmacology: | Dopamine is a natural catecholamine formed by the decarboxylation of 3,4-dihydroxyphenylalanine (DOPA). It is a precursor to norepinephrine in noradrenergic nerves and is also a neurotransmitter in certain areas of the central nervous system, especially in the nigrostriatal tract, and in a few peripheral sympathetic nerves. Dopamine produces positive chronotropic and inotropic effects on the myocardium, resulting in increased heart rate and cardiac contractility. This is accomplished directly by exerting an agonist action on beta-adrenoceptors and indirectly by causing release of norepinephrine from storage sites in sympathetic nerve endings. |
| Mechanism_of_action: | Dopamine is a precursor to norepinephrine in noradrenergic nerves and is also a neurotransmitter in certain areas of the central nervous system. Dopamine produces positive chronotropic and inotropic effects on the myocardium, resulting in increased heart rate and cardiac contractility. This is accomplished directly by exerting an agonist action on beta-adrenoceptors and indirectly by causing release of norepinephrine from storage sites in sympathetic nerve endings. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.9215±0.0186676 |
| Normalized OD Score: sc h | 1.0041±0.00801419 |
| Z-Score: | -0.5477±0.146926 |
| p-Value: | 0.585912 |
| Z-Factor: | -3.23843 |
| Fitness Defect: | 0.5346 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 9 | 1 2 Next >> |
| 681 | 4-(2-aminoethyl)benzene-1,2-diol |
| 65340 | 4-(2-aminoethyl)benzene-1,2-diol hydrochloride |
| 71564 | 4-(2-aminoethyl)benzene-1,2-diol hydrobromide |
| 450881 | 4-(2-aminoethyl)benzene-1,2-diol |
| 517540 | 2-(3,4-dihydroxyphenyl)ethylazanium chloride |
| 3713609 | 2-(3,4-dihydroxyphenyl)ethylazanium |
| internal high similarity DBLink | Rows returned: 2 |
| SPE01504189 | 0.9167 |
| LOPAC 00261 | 1.0000 |
| active | Cluster 5045 | Additional Members: 7 | Rows returned: 1 |
| LOPAC 00264 | 0.454545454545455 |
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