| Compound Information | SONAR Target prediction |
| Name: | ISOPROTERENOL HYDROCHLORIDE |
| Unique Identifier: | SPE01500357 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 229.575 g/mol |
| X log p: | 6.284 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | Cl.CC(C)NCC(O)c1ccc(O)c(O)c1 |
| Source: | synthetic |
| Therapeutics: | bronchodilator |
| Generic_name: | Isoproterenol |
| Chemical_iupac_name: | 4-[1-hydroxy-2-(1-methylethylamino)ethyl]benzene-1,2-diol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450121 |
| Kegg_compound_id: | C07056 |
| Drugbank_id: | APRD00182 |
| Melting_point: | 170.5 oC |
| Logp: | 1.172 |
| Cas_registry_number: | 7683-59-2 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C7683592&Index=0&Type=Mass&Large=on |
| Drug_category: | Cardiotonic Agents; Bronchodilator Agents; Sympathomimetic; ATC:R03AC |
| Indication: | For the treatment of mild or transient episodes of heart block that do not require electric shock or pacemaker therapy also used in management of asthma and chronic bronchitis |
| Pharmacology: | Isoproterenol is a relatively selective beta2-adrenergic bronchodilator. Isoproterenol is indicated for the relief of bronchospasm associated with chronic obstructive pulmonary disease. The pharmacologic effects of beta adrenergic agonist drugs, including Isoproterenol, are at least in part attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3-,5-- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells. |
| Mechanism_of_action: | The pharmacologic effects of Isoproterenol are at least in part attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic AMP. Increased cyclic AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells. |
| 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 | 0.8625±0.0247487 |
| Normalized OD Score: sc h | 1.0047±0.00121841 |
| Z-Score: | 0.5394±0.0142712 |
| p-Value: | 0.589626 |
| Z-Factor: | -0.902431 |
| Fitness Defect: | 0.5283 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 11 | 1 2 Next >> |
| 3779 | 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| 5807 | 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol hydrochloride |
| 5808 | 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| 13701 | [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-propan-2-yl-azanium chloride |
| 25104 | 4-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,2-diol |
| 443372 | 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| internal high similarity DBLink | Rows returned: 5 |
| JFD 01582 | 0.9016 |
| SPE01500390 | 0.9016 |
| LOPAC 00895 | 0.9167 |
| LOPAC 00121 | 1.0000 |
| LOPAC 00984 | 1.0000 |
| active | Cluster 1040 | Additional Members: 10 | Rows returned: 1 |
| LOPAC 00113 | 0 |
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