| Compound Information | SONAR Target prediction |
| Name: | Betaxolol hydrochloride |
| Unique Identifier: | Prest779 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C18ClH30NO3 |
| Molecular Weight: | 313.65 g/mol |
| X log p: | 8.357 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 18.46 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 11 |
| Canonical Smiles: | Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 |
| Generic_name: | Betaxolol |
| Chemical_iupac_name: | 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(1-methylethylamino)propan-2-ol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448611 |
| Kegg_compound_id: | C06849 |
| Drugbank_id: | APRD00245 |
| Melting_point: | 70-72 oC |
| H2o_solubility: | 451 mg/L |
| Logp: | 3.265 |
| Isoelectric_point: | 9.4 |
| Cas_registry_number: | 63659-18-7 |
| Drug_category: | Sympatholytics; Antihypertensive Agents; Adrenergic beta-Antagonists; EENT Drugs; ATC:C07AB05; ATC:S01ED02 |
| Indication: | For the management of hypertension. |
| Pharmacology: | Betaxolol is a competitive, beta(1)-selective (cardioselective) adrenergic antagonist. Betaxolol is used to treat hypertension, arrhythmias, coronary heart disease, glaucoma, and is also used to reduce non-fatal cardiac events in patients with heart failure. Activation of beta(1)-receptors (located mainly in the heart) by epinephrine increases the heart rate and the blood pressure, and the heart consumes more oxygen. Drugs such as betaxolol that block these receptors therefore have the reverse effect: they lower the heart rate and blood pressure and hence are used in conditions when the heart itself is deprived of oxygen. They are routinely prescribed in patients with ischemic heart disease. In addition, beta(1)-selective blockers prevent the release of renin, which is a hormone produced by the kidneys which leads to constriction of blood vessels. Betaxolol is lipophilic and exhibits no intrinsic sympathomimetic activity (ISA) or membrane stabilizing activity. |
| Mechanism_of_action: | Betaxolol selectively blocks catecholamine stimulation of beta(1)-adrenergic receptors in the heart and vascular smooth muscle. This results in a reduction of heart rate, cardiac output, systolic and diastolic blood pressure, and possibly reflex orthostatic hypotension. Betaxolol can also competitively block beta(2)-adrenergic responses in the bronchial and vascular smooth muscles, causing bronchospasm. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 2048.0000±0 |
| Normalized OD Score: sc h | 0.9871±0 |
| Z-Score: | -0.2899±0 |
| p-Value: | 0.771882 |
| Z-Factor: | -8.02199 |
| Fitness Defect: | 0.2589 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 2369 | 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 60656 | (2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol hydrochloride |
| 60657 | (2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 107952 | 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol hydrochloride |
| 185454 | (2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(tert-butylamino)propan-2-ol |
| 657296 | 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol; hydrogen(+1) cation; chloride |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 7246 | Additional Members: 18 | Rows returned: 1 |
| LOPAC 00126 | 0 |
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