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Compound InformationSONAR Target prediction
Name:

Glycocholic acid

Unique Identifier:Prest768
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H43NO6
Molecular Weight:426.313 g/mol
X log p:-1.652  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:7
Canonical Smiles:CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Generic_name:GLYCOCHENODEOXYCHOLIC ACID
Chemical_iupac_name:GLYCOCHENODEOXYCHOLIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00909
Logp:3.7
Drug_category:7 Alpha-Hydroxysteroid Dehydrogenase inhibitor
Organisms_affected:-1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 10413.5000±0
Normalized OD Score: sc h 1.0451±0
Z-Score: 1.0156±0
p-Value: 0.309836
Z-Factor: -4.31859
Fitness Defect: 1.1717
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|E2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):951.5±923.27222
Plate DMSO Control (-):2006±543.99595
Plate Z-Factor:-4.4324
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DBLink | Rows returned: 25<< Back 1 2 3 4 5 Next >> 
93353 2-[[(4R)-4-[(3R,5S,7S,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
125082 2-[methyl-[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,
15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
145885 2-[[(4R)-4-[(3R,5S,7R,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methyl-amino]acetic acid
145886 2-[[(4R)-4-[(3R,5S,7S,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methyl-amino]acetic acid
154095 azane; platinum(+2) cation;
2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]
phenanthren-17-yl)pentanoylamino]acetate; chloride
439604 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 10691 | Additional Members: 8 | Rows returned: 0
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