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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
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18675.0000±0
Normalized OD Score: sc h 1.0211±0
Z-Score: 0.5873±0
p-Value: 0.556976
Z-Factor: -5.58155
Fitness Defect: 0.5852
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 (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 251 2 3 4 5 Next >> 
755 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]acetic acid
10140 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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
12544 2-[[(4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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
13341 sodium
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
27928 sodium
2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthren-17-yl)pentanoylamino]acetate
27929 2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthren-17-yl)pentanoylamino]acetic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 10691 | Additional Members: 8 | Rows returned: 4
LOPAC 00673 0.27710843373494
SPE01500904 0.166666666666667
SPE01500840 0
LAT004A10 0

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