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Compound InformationSONAR Target prediction
Name:

Papaverine hydrochloride

Unique Identifier:Prest376
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20ClH22NO4
Molecular Weight:353.671 g/mol
X log p:15.917  (online calculus)
Lipinksi Failures1
TPSA49.28
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:6
Canonical Smiles:Cl.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Generic_name:Papaverine
Chemical_iupac_name:1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
Drug_type:Approved Drug
Pharmgkb_id:PA450779
Drugbank_id:APRD00628
Logp:3.72
Cas_registry_number:61-25-6
Drug_category:Vasodilator Agents; ATC:A03AD01; ATC:G04BE02
Indication:Impotence
Pharmacology:Papaverine is a nonxanthine phosphodiesterase inhibitor for the relief of cerebral
and peripheral ischemia associated with arterial spasm and myocardial ischemia
complicated by arrhythmias. The main actions of Papaverine are exerted on cardiac
and smooth muscle. Like qathidine, Papaverine acts directly on the heart muscle to
depress conduction and prolong the refractory period. Papaverine relaxes various
smooth muscles. This relaxation may be prominent if spasm exists. The muscle cell is
not paralyzed by Papaverine and still responds to drugs and other stimuli causing
contraction. The antispasmodic effect is a direct one, and unrelated to muscle
innervation. Papaverine is practically devoid of effects on the central nervous
system. Papaverine relaxes the smooth musculature of the larger blood vessels,
especially coronary, systemic peripheral, and pulmonary arteries.
Mechanism_of_action:Perhaps by its direct vasodilating action on cerebral blood vessels, Papaverine
increases cerebral blood flow and decreases cerebral vascular resistance in normal
subjects; oxygen consumption is unaltered. These effects may explain the benefit
reported from the drug in cerebral vascular encephalopathy.
Organisms_affected:Humans and other mammals

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1964.0000±0
Normalized OD Score: sc h 0.9721±0
Z-Score: -0.6278±0
p-Value: 0.53015
Z-Factor: -11.554
Fitness Defect: 0.6346
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:8|C4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):953±868.44324
Plate DMSO Control (-):1906.5±525.50956
Plate Z-Factor:-4.3660
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DBLink | Rows returned: 92 Next >> 
4680 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
6084 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline hydrochloride
100248 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxy-phenol
425899 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
426677 1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-isoquinoline
657373 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; hydrogen(+1) cation; chloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 1145 | Additional Members: 7 | Rows returned: 2
SPE01501000 0.4
Prest1049 0.4

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