| Compound Information | SONAR Target prediction |
| Name: | PHENYLEPHRINE HYDROCHLORIDE |
| Unique Identifier: | SPE01500483 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 189.555 g/mol |
| X log p: | 7.903 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | Cl.CNCC(O)c1cccc(O)c1 |
| Source: | synthetic |
| Therapeutics: | mydriatic, decongestant |
| Generic_name: | Phenylephrine |
| Chemical_iupac_name: | 3-(1-hydroxy-2-methylamino-ethyl)phenol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450935 |
| Kegg_compound_id: | C07441 |
| Drugbank_id: | APRD00365 |
| Melting_point: | 140-145 oC |
| H2o_solubility: | Freely soluble in water |
| Logp: | 0.63 |
| Cas_registry_number: | 59-42-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C59427&Index=0&Type=Mass&Large=on |
| Drug_category: | Adrenergic alpha-Agonists; Cardiotonic Agents; Nasal Decongestants; Sympathomimetics; Vasoconstrictor Agents; Mydriatics; ATC:C01CA06; ATC:R01AA04; ATC:R01AB01; ATC:R01BA03; ATC:S01FB01; ATC:S01GA05 |
| Indication: | For the treatment of ophthalmic disorders (hyperaemia of conjunctiva, posterior synechiae, acute atopic), nasal congestion, hemorrhoids, hypotension, shock, hypotension during spinal anesthesia, paroxysmal supraventricular tachycardia. It is also used as an aid in the diagnosis of heart murmurs and for prolongation of spinal anesthesia |
| Pharmacology: | Phenylephrine is a powerful vasoconstrictor. It is used as a mydriatic, nasal decongestant, and cardiotonic agent. Phenylephrine is a postsynaptic alpha-receptor stimulant with little effect on the beta receptors of the heart. Parenteral administration of Phenylephrine causes a rise in systolic and diastolic pressures, cardiac output is slightly decreased and peripheral resistance is considerably increased, most vascular beds are constricted; renal, splanchnic, cutaneous, and limb blood flows are reduced but coronary blood flow is increased. Pulmonary vessels are constricted, and pulmonary arterial pressure is raised. This alpha receptor sympathetic agonist is also used locally because its vasoconstrictor and mydriatic action. |
| Mechanism_of_action: | Phenylephrine produces its ophthalmic and systemic actions by acting on alpha 1 adrenergic receptors in the pupillary dilator muscle and the vascular smooth musle, resulting in contraction of the dilator muscle and contraction of the smooth muscle in the arterioles of the conjunctiva and peripheral vasoconstriction. Phenylephrine decreases nasal congestion by acting on alpha 1 adrenergic receptors in the arterioles of the nasal mucosa to produce constriction. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 201 202 203 204 205 Next >> [205] |
| Species: | 4932 |
| Condition: | MDH1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7684±0.0208596 |
| Normalized OD Score: sc h | 1.0080±0.019515 |
| Z-Score: | 0.5235±1.1734 |
| p-Value: | 0.467714 |
| Z-Factor: | -27.9357 |
| Fitness Defect: | 0.7599 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 15 | << Back 1 2 3 Next >> |
| 71546 | 3-[(1S)-1-hydroxy-2-methylamino-ethyl]phenol |
| 441279 | [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-azanium chloride |
| 449888 | 3-[(1R)-1-hydroxy-2-methylamino-ethyl]phenol |
| 450792 | 3-(1-hydroxy-2-methylamino-ethyl)phenol |
| 657210 | hydrogen(+1) cation; 3-[(1R)-1-hydroxy-2-methylamino-ethyl]phenol; chloride |
| 4573619 | [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-azanium |
| internal high similarity DBLink | Rows returned: 2 |
| LOPAC 00895 | 0.9091 |
| LOPAC 00144 | 1.0000 |
| active | Cluster 17728 | Additional Members: 3 | Rows returned: 1 |
| Prest1218 | 0.325 |
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