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Compound InformationSONAR Target prediction
Name:

Urosiol

Unique Identifier:Prest256
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H40O4
Molecular Weight:357.294 g/mol
X log p:-0.305  (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
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: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1124.0000±0
Normalized OD Score: sc h 1.2152±0
Z-Score: 4.8498±0
p-Value: 0.00000123608
Z-Factor: -3.92867
Fitness Defect: 13.6036
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|H9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):758.5±653.58671
Plate DMSO Control (-):822.5±277.54018
Plate Z-Factor:-66.6597
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DBLink | Rows returned: 161[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [27]
158737 sodium
(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
158738 (3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
160636 (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
164672 (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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]pentanoic acid
164673 (4R)-4-[(3S,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]pentanoic acid
165044 sodium
(4R)-4-[(3R,5S,7S,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah
ydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2228 | Additional Members: 18 | Rows returned: 121 2 Next >> 
SPE00300015 0.467532467532468
SPE00270051 0.451219512195122
SPE00270049 0.371428571428571
SPE00100566 0.337837837837838
SPE01500835 0.309859154929578
SPE01500605 0.3

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