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Compound InformationSONAR 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 Failures1
TPSA0
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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.7027±0.00799031
Normalized OD Score: sc h 0.9860±0.0112177
Z-Score: -0.7063±0.543988
p-Value: 0.511482
Z-Factor: -6.04944
Fitness Defect: 0.6704
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041925000000000004±0.00233
Plate DMSO Control (-):0.6859500000000001±0.01433
Plate Z-Factor:0.9184
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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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