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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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CHS7
Replicates: 2
Raw OD Value: r im 0.5271±0.00494975
Normalized OD Score: sc h 0.9552±0.000397929
Z-Score: -1.4412±0.104693
p-Value: 0.150632
Z-Factor: -1.08131
Fitness Defect: 1.8929
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-02-21 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00031
Plate DMSO Control (-):0.544025±0.01473
Plate Z-Factor:0.9003
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DBLink | Rows returned: 20<< Back 1 2 3 4 Next >> 
171136 (2R,4aR,6aS,6aS,6bR,10S,12aS,14bS)-10-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-hepta
methyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
174147 (2R,4aR,6aS,6bR,10S,12aS,14bS)-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
490255 10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14
b-dodecahydro-1H-picene-2-carboxylic acid
636402 disodium
(2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-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
636403 (2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-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
3033828 (2S,6aS,6aS,10S)-10-[(1R,2S)-2-carboxycyclohexanecarbonyl]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-carboxylic 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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