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Compound InformationSONAR Target prediction
Name:

Pyrvinium pamoate

Unique Identifier:Prest1291
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C101H98N9O6
Molecular Weight:1435.14 g/mol
X log p:29.37  (online calculus)
Lipinksi Failures1
TPSA9.49
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:[O-]C(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc32)C([O-])=O)c1O.CN(C)c1ccc2c(c
cc(C=Cc3cc(C)n(c3C)c3ccccc3)[n+]2C)c1.CN(C)c1ccc2c(ccc(C=Cc3cc(C)n(c3C
)c3ccccc3)[n+]2C)c1.CN(C)c1ccc2c(ccc(C=Cc3cc(C)n(c3C)c3ccccc3)[n+]2C)c
1

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 503.0000±0
Normalized OD Score: sc h 0.6834±0
Z-Score: -7.1365±0
p-Value: 0.00000000000095708
Z-Factor: -1.92446
Fitness Defect: 27.6749
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|H11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):727.5±605.08760
Plate DMSO Control (-):773±261.27974
Plate Z-Factor:-83.4256
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DBLink | Rows returned: 6
427876 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;
2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
5476354 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
5702110 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
11979707 4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
11980830 4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
11980902 4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(Z)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 131 2 3 Next >> 
LOPAC 00756 0
SPE01503428 0
LAT007G07 0
LAT007H07 0
LAT007E08 0
SPE01503692 0

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