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Compound InformationSONAR Target prediction
Name:

CHOLIC ACID

Unique Identifier:SPE01500840
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:369.262 g/mol
X log p:-1.532  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Class:sterol
Source:mammalian bile
Reference:Biochem J 85: 236 (1962)
Generic_name:CHOLIC ACID
Chemical_iupac_name:CHOLIC ACID
Drug_type:Experimental
Kegg_compound_id:C00695
Drugbank_id:EXPT00906
Logp:2.818
Cas_registry_number:81-25-4
Drug_category:Estrogen-Related Receptor Gamma inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7044±0.000494975
Normalized OD Score: sc h 0.9985±0.0028951
Z-Score: -0.0827±0.156032
p-Value: 0.912446
Z-Factor: -53.1985
Fitness Defect: 0.0916
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00068
Plate DMSO Control (-):0.6857500000000001±0.02249
Plate Z-Factor:0.8773
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DBLink | Rows returned: 161[1] << Back 21 22 23 24 25 26 27 Next >> [27]
7092938 (4R)-4-[(3R,5R,7R,8R,9R,10R,13R,14R,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]pentanoate
7092939 (4R)-4-[(3R,5R,7R,8R,9R,10R,13R,14R,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]pentanoic acid
7092940 (4R)-4-[(3R,5R,7R,8R,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]pentanoate
7092941 (4R)-4-[(3R,5R,7R,8R,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]pentanoic acid
7092942 (4R)-4-[(3R,5R,7R,8R,9S,10R,13R,14R,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]pentanoate
7092943 (4R)-4-[(3R,5R,7R,8R,9S,10R,13R,14R,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]pentanoic acid

internal high similarity DBLink | Rows returned: 31<< Back 1 2 3 4 5 6 Next >> 
BTB 12974 0.9524
BTB 12979 0.9524
BTB 13005 0.9524
BTB 14959 0.9524
BTB 14973 0.9524
BTB 14981 0.9524

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