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Compound InformationSONAR Target prediction
Name:

CARBENOXOLONE SODIUM

Unique Identifier:SPE01502005
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:567.347 g/mol
X log p:-0.58  (online calculus)
Lipinksi Failures0
TPSA123.63
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:[Na+].[Na+].[O-]C(=O)CCC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4
(C)CCC23C)C([O-])=O)C1(C)C
Source:semisynthetic
Therapeutics:antiinflammatory, antisecretory, antiulcer
Generic_name:CARBENOXOLONE
Chemical_iupac_name:CARBENOXOLONE
Drug_type:Experimental
Drugbank_id:EXPT00848
Logp:6.96
Drug_category:Corticosteroid 11-Beta-Dehydrogenase Isozyme inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: ROM2
Replicates: 2
Raw OD Value: r im 0.6814±0.00374767
Normalized OD Score: sc h 1.0046±0.000107917
Z-Score: 0.2014±0.01164
p-Value: 0.840372
Z-Factor: -8.80883
Fitness Defect: 0.1739
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:14|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-11-21 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00081
Plate DMSO Control (-):0.665825±0.01735
Plate Z-Factor:0.9203
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DBLink | Rows returned: 201 2 3 4 Next >> 
2561 10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahy
dro-1H-picene-2-carboxylic acid
21913 (2S,6aS,6aS,8aS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,1
1,12,14b-dodecahydro-1H-picene-2-carboxylic acid
23899 disodium
(2S,6aS,6aS,8aS,10S)-10-(3-carboxylatopropanoyloxy)-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-carboxylate
23900 (2S,6aS,6aS,8aS,10S)-10-(3-carboxypropanoyloxy)-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
60912 disodium
(2S,6aS,6aS,10S)-10-[(1R,2S)-2-carboxylatocyclohexanecarbonyl]oxy-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-carboxylate
131730 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14
,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxo-butanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 6100 | Additional Members: 5 | Rows returned: 2
SPE01500990 0
SPE01500989 0

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