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

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 91 92 93 94 95
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.8400±0.0115966
Normalized OD Score: sc h 1.0733±0.00561276
Z-Score: 4.2249±0.806202
p-Value: 0.00012949
Z-Factor: -1.31026
Fitness Defect: 8.9519
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.04015±0.00054
Plate DMSO Control (-):0.773725±0.04428
Plate Z-Factor:0.8064
png
ps
pdf

DBLink | Rows returned: 77<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
5284133 (4R)-4-[(3S,5R,10S,13S,14R,17R)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydro
cyclopenta[a]phenanthren-17-yl]pentanoic acid
5284143 (4R)-4-[(8R,9S,10R,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodeca
hydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
5317760 (4aR,6bR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-
dodecahydro-1H-picene-2-carboxylic acid
5702158 (2S,4aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,
12,14b-dodecahydro-1H-picene-2-carboxylic acid
5702287 (2S,4aR,6aS,6bR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,
12,14b-dodecahydro-1H-picene-2-carboxylic acid
6548061 (4S)-4-[(3R,5S,8S,10R,13S,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

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

Service provided by the Mike Tyers Laboratory