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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] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.7883±0.0000707107
Normalized OD Score: sc h 1.0253±0.0314364
Z-Score: 1.5503±1.73613
p-Value: 0.376224
Z-Factor: -3.32449
Fitness Defect: 0.9776
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2006-02-24 YYYY-MM-DD
Plate CH Control (+):0.0416±0.00301
Plate DMSO Control (-):0.7727499999999999±0.02426
Plate Z-Factor:0.9668
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DBLink | Rows returned: 161[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [27]
3303124 4-(7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan
thren-17-yl)pentanoic acid
3376603 6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant
hren-17-yl)-2-methyl-heptanoic acid
3833347 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]phe
nanthren-17-yl)pentanoate
5028301 sodium
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]phe
nanthren-17-yl)pentanoate
5074751 barium(+2) cation;
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]phenant
hren-17-yl)pentanoate
5122071 3-(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]phe
nanthren-17-yl)butanoic acid

internal high similarity DBLink | Rows returned: 311 2 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 10691 | Additional Members: 8 | Rows returned: 0
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