| Compound Information | SONAR Target prediction |
| Name: | (±)-Epinephrine hydrochloride |
| Unique Identifier: | LOPAC 00895 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C9ClH14NO3 |
| Molecular Weight: | 205.554 g/mol |
| X log p: | 6.314 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | Cl.CNCC(O)c1ccc(O)c(O)c1 |
| Class: | Adrenoceptor |
| Action: | Agonist |
| Generic_name: | Epinephrine |
| Chemical_iupac_name: | 4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449470 |
| Drugbank_id: | APRD00450 |
| Melting_point: | 211.5 oC |
| H2o_solubility: | 180 mg/L |
| Logp: | 0.256 |
| Isoelectric_point: | 8.59 |
| Cas_registry_number: | 51-43-4 |
| Drug_category: | Vasoconstrictor Agents; Mydriatics; Bronchodilator Agents; Sympathomimetic; ATC:A01AD01; ATC:B02BC09; ATC:C01CA03; ATC:C01CA24; ATC:R01AA14; ATC:R03AA01; ATC:S01EA01 |
| Indication: | For the treatment of anaphylactic reactions |
| Pharmacology: | Epinephrine is indicated for intravenous injection in treatment of acute hypersensitivity, treatment of acute asthmatic attacks to relieve bronchospasm, and treatment and prophylaxis of cardiac arrest and attacks of transitory atrioventricular heart block with syncopal seizures (Stokes-Adams Syndrome). The actions of epinephrine resemble the effects of stimulation of adrenergic nerves. To a variable degree it acts on both alpha and beta receptor sites of sympathetic effector cells. Its most prominent actions are on the beta receptors of the heart, vascular and other smooth muscle. When given by rapid intravenous injection, it produces a rapid rise in blood pressure, mainly systolic, by (1) direct stimulation of cardiac muscle which increases the strength of ventricular contraction, (2) increasing the heart rate and (3) constriction of the arterioles in the skin, mucosa and splanchnic areas of the circulation. When given by slow intravenous injection, epinephrine usually produces only a moderate rise in systolic and a fall in diastolic pressure. Although some increase in pulse pressure occurs, there is usually no great elevation in mean blood pressure. Accordingly, the compensatory reflex mechanisms that come into play with a pronounced increase in blood pressure do not antagonize the direct cardiac actions of epinephrine as much as with catecholamines that have a predominant action on alpha receptors. |
| Mechanism_of_action: | Epinephrine works via the stimulation of alpha and beta-1 adrenergic receptors, and a moderate activity at beta-2 adrenergic receptors. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 11 12 13 14 15 16 17 18 19 20 Next >> [24] |
| Species: | 4932 |
| Condition: | SMI1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6794±0.0296278 |
| Normalized OD Score: sc h | 0.9820±0.0483501 |
| Z-Score: | -0.4396±1.28554 |
| p-Value: | 0.408108 |
| Z-Factor: | -48.2266 |
| Fitness Defect: | 0.8962 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 17 | 1 2 3 Next >> |
| 838 | 4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol |
| 5816 | 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| 5924 | 4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol hydrochloride |
| 9489 | [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-methyl-azanium chloride |
| 11139 | 4-(2-dimethylamino-1-hydroxy-ethyl)benzene-1,2-diol |
| 247704 | 4-[(1S)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| internal high similarity DBLink | Rows returned: 5 |
| SPE01500483 | 0.9091 |
| LOPAC 00121 | 0.9123 |
| LOPAC 00984 | 0.9123 |
| SPE01500357 | 0.9167 |
| LOPAC 00144 | 0.9231 |
| nonactive | Cluster 1040 | Additional Members: 10 | Rows returned: 9 | 1 2 Next >> |
| SPE01500274 | 0.314285714285714 |
| LOPAC 00114 | 0.314285714285714 |
| LOPAC 00984 | 0 |
| LOPAC 00121 | 0 |
| LOPAC 00115 | 0 |
| Prest1146 | 0 |
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