Home | Screening data | Screen comparisons | Search for compounds | Structure search

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
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4146±0.0123037
Normalized OD Score: sc h 0.7992±0.00527625
Z-Score: -5.6192±0.155335
p-Value: 0.0000000230552
Z-Factor: 0.411118
Fitness Defect: 17.5854
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040725±0.00042
Plate DMSO Control (-):0.5124500000000001±0.01653
Plate Z-Factor:0.9053
png
ps
pdf

DBLink | Rows returned: 161[1] << Back 21 22 23 24 25 26 27
7173556 (4S)-4-[(3R,5S,7R,8S,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
7173557 (4S)-4-[(3R,5S,7R,8S,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
11350288 (4R)-4-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,
17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
11998500 (7S)-7-[(3R,5R,8S,9S,10S,12S,13S,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-3-methyl-octanoic acid
11998501 (7R)-7-[(3R,5S,7R,8S,9S,10S,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]-3-methyl-octanoic 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

Service provided by the Mike Tyers Laboratory