| Compound Information | SONAR Target prediction |
| Name: | METAPROTERENOL |
| Unique Identifier: | SPE01500390 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 194.123 g/mol |
| X log p: | 5.855 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | CC(C)NCC(O)c1cc(O)cc(O)c1 |
| Source: | synthetic |
| Therapeutics: | bronchodilator |
| Generic_name: | Metaproterenol |
| Chemical_iupac_name: | 5-[1-hydroxy-2-(1-methylethylamino)ethyl]benzene-1,3-diol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450390 |
| Kegg_compound_id: | C07144 |
| Drugbank_id: | APRD00210 |
| Melting_point: | 100oC |
| H2o_solubility: | 9.7mg/L |
| Logp: | 1.172 |
| Cas_registry_number: | 06/01/586 |
| Drug_category: | Tocolytic Agents; Bronchodilator Agents; ATC:R03AC |
| Indication: | For the treatment of bronchospasm, chronic bronchitis, asthma, and emphysema. |
| Pharmacology: | Metaproterenol, a synthetic amine, is structurally and pharmacologically similar to isoproterenol. Metaproterenol is used exclusively as a bronchodilator. The pharmacologic effects of beta adrenergic agonist drugs, such as Metaproterenol, 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: | Metaproterenol is a moderately selective beta(2)-adrenergic agonist that stimulates receptors of the smooth muscle in the lungs, uterus, and vasculature supplying skeletal muscle, with minimal or no effect on alpha-adrenergic receptors. Intracellularly, the actions of metaproterenol are mediated by cAMP, the production of which is augmented by beta stimulation. The drug is believed to work by activating adenylate cyclase, the enzyme responsible for producing the cellular mediator cAMP. |
| 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: | APC9 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6941±0.00869741 |
| Normalized OD Score: sc h | 0.9944±0.0053739 |
| Z-Score: | -0.3061±0.296558 |
| p-Value: | 0.764624 |
| Z-Factor: | -201.045 |
| Fitness Defect: | 0.2684 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 6 |
| 4086 | 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol |
| 5403 | 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol |
| 5252031 | [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-azanium |
| 6365506 | 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol hydrochloride |
| 6603919 | 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol |
| 6604023 | 5-[(1R)-1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| LOPAC 00121 | 0.9016 |
| LOPAC 00984 | 0.9016 |
| SPE01500357 | 0.9016 |
| LOPAC 01034 | 0.9032 |
| LOPAC 01240 | 0.9032 |
| SPE01500558 | 0.9032 |
| active | Cluster 17428 | Additional Members: 9 | Rows returned: 0 |
Service provided by the
Mike Tyers Laboratory