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Compound InformationSONAR Target prediction
Name:

CHENODIOL

Unique Identifier:SPE01500837
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:353.262 g/mol
X log p:-0.613  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:human bile
Reference:Helv Chim Acta 43: 1595 (1960)
Therapeutics:anticholithogenic, antilipemic agent
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: 6 active | as graph: single | with analogs << Back 1 2 3 4 5 6 Next >> 
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.3925±0.0502046
Normalized OD Score: sc h 0.5226±0.0669605
Z-Score: -15.9593±2.11832
p-Value: 0
Z-Factor: 0.416941
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|E9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0875±0.00937
Plate DMSO Control (-):0.9424999999999999±0.02394
Plate Z-Factor:0.9050
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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: 312 3 4 5 6 Next >> 
JFD 01238 0.9091
SPE01500225 0.9091
SPE00270049 0.9091
BTBG 00035 0.9130
LOPAC 00965 0.9130
BTB 12971 0.9524

active | Cluster 2228 | Additional Members: 18 | Rows returned: 6
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
Prest256 0.3
SPE01500906 0
Prest88 0

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