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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 81 82 83 84 85 86 87 88 89 90  Next >> [95]
Species: 4932
Condition: STO1
Replicates: 2
Raw OD Value: r im 0.5734±0.0357796
Normalized OD Score: sc h 1.1165±0.034044
Z-Score: 4.1531±1.28242
p-Value: 0.0005848
Z-Factor: -0.775523
Fitness Defect: 7.4442
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2007-12-06 YYYY-MM-DD
Plate CH Control (+):0.041175±0.00051
Plate DMSO Control (-):0.4905±0.01655
Plate Z-Factor:0.8724
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DBLink | Rows returned: 772 3 4 5 6 7 8 9 10  Next >> 
3230 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
10114 (2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,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
73398 (2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bS)-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
111253 (2S,4aR,6aS,6aS,6bR,8aS,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,
14b-dodecahydropicene-2-carboxylic acid
112111 (2R,4aR,6aS,6aS,6bR,8aS,10S,12aS,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
125828 (2R,4aR,6aS,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

internal high similarity DBLink | Rows returned: 13<< Back 1 2 3 Next >> 
NRB 04205 0.9565
NRB 03896 0.9565
NRB 03833 0.9565
NRB 03703 0.9565
NRB 03676 0.9565
NRB 03850 0.9565

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

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