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 1 2 3 4 5 6 7 8 9 10  Next >> [95]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.2235±0
Normalized OD Score: sc h 0.3363±0
Z-Score: -5.8771±0
p-Value: 0.00000000417428
Z-Factor: 0.924651
Fitness Defect: 19.2943
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 (+):0.0402±0.30793
Plate DMSO Control (-):0.6904±0.01146
Plate Z-Factor:-0.9382
png
ps
pdf

DBLink | Rows returned: 77<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
7067342 (2S,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
7067343 (2S,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
7067344 (2S,4aR,6aR,6aS,6bS,8aS,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
7067345 (2S,4aR,6aR,6aS,6bS,8aS,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
7067346 (2S,4aR,6aR,6aS,6bS,8aR,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
7067347 (2S,4aR,6aR,6aS,6bS,8aR,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic 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