| Compound Information | SONAR Target prediction |
| Name: | ATENOLOL |
| Unique Identifier: | SPE01501127 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 244.161 g/mol |
| X log p: | 7.872 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 8 |
| Canonical Smiles: | CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 |
| Source: | synthetic |
| Therapeutics: | beta adrenergic blocker |
| Generic_name: | Atenolol |
| Chemical_iupac_name: | 2-[4-[2-hydroxy-3-(1-methylethylamino)propoxy]phenyl]ethanamide |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C06833 |
| Drugbank_id: | APRD00172 |
| Melting_point: | 146-148oC |
| H2o_solubility: | 13.5 mg/mL |
| Logp: | 1.256 |
| Cas_registry_number: | 29122-68-7 |
| Drug_category: | Sympatholytics; Antihypertensive Agents; Antiarrhythmic Agents; Adrenergic Agents; ATC:C07AB03; ATC:C07AB11 |
| Indication: | For the management of hypertention and long-term management of patients with angina pectoris |
| Pharmacology: | Atenolol, a competitive beta(1)-selective adrenergic antagonist, has the lowest lipid solubility of this drug class. Although it is similar to metoprolol, atenolol differs from pindolol and propranolol in that it does not have intrinsic sympathomimetic properties or membrane-stabilizing activity. Atenolol is used alone or with chlorthalidone in the management of hypertension and edema. |
| Mechanism_of_action: | Like metoprolol, atenolol competes with sympathomimetic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting sympathetic stimulation. This results in a reduction in resting heart rate, cardiac output, systolic and diastolic blood pressure, and reflex orthostatic hypotension. Higher doses of atenolol also competitively block beta(2)-adrenergic responses in the bronchial and vascular smooth muscles. |
| 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 | 0.8430±0.0109602 |
| Normalized OD Score: sc h | 0.9834±0.00909023 |
| Z-Score: | 0.0725±0.176357 |
| p-Value: | 0.901018 |
| Z-Factor: | -11.4918 |
| Fitness Defect: | 0.1042 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 2249 | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| 119274 | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide hydrochloride |
| 175540 | 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| 180559 | 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| 450800 | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| 6919134 | [(2R)-3-[4-(carbamoylmethyl)phenoxy]-2-hydroxy-propyl]-propan-2-yl-azanium |
| internal high similarity DBLink | Rows returned: 3 |
| LOPAC 00083 | 1.0000 |
| LOPAC 00126 | 1.0000 |
| LOPAC 00152 | 1.0000 |
| active | Cluster 7246 | Additional Members: 18 | Rows returned: 1 |
| LOPAC 00126 | 0 |
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