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Compound InformationSONAR Target prediction
Name:

ENOXOLONE

Unique Identifier:SPE01500990
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:425.327 g/mol
X log p:-0.225  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC21C)C(O)=O
Class:triterpene
Source:derivative
Therapeutics:antitussive, antiinflammatory, antibacterial

Found: 95 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [95]
Species: 4932
Condition: SPE00307050
Replicates: 2
Raw OD Value: r im 0.3046±0
Normalized OD Score: sc h 0.4211±0
Z-Score: -5.2057±0
p-Value: 0.000000193257
Z-Factor: 0.706607
Fitness Defect: 15.4592
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00113
Plate DMSO Control (-):0.7532±0.04375
Plate Z-Factor:0.8143
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DBLink | Rows returned: 77<< Back 11 12 13 Next >> 
7099905 (4R)-4-[(3R,5S,8S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd
rocyclopenta[a]phenanthren-17-yl]pentanoic acid
7099906 (4S)-4-[(3R,5S,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd
rocyclopenta[a]phenanthren-17-yl]pentanoate
7099907 (4S)-4-[(3R,5S,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd
rocyclopenta[a]phenanthren-17-yl]pentanoic acid
7099908 (4R)-4-[(3R,5S,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd
rocyclopenta[a]phenanthren-17-yl]pentanoate
7099909 (4R)-4-[(3R,5S,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd
rocyclopenta[a]phenanthren-17-yl]pentanoic acid
7314289 (1S,3aS,4S,5S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2,
3,3a,4,5,6,7-octahydroindene-4-carboxylate

internal high similarity DBLink | Rows returned: 132 3 Next >> 
BTBG 00247 0.9130
SPE01701060 0.9167
LOPAC 00951 0.9167
NRB 03662 0.9565
SPE00307023 0.9565
SB 01709 0.9565

active | Cluster 6100 | Additional Members: 5 | Rows returned: 1
SPE01500989 0

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