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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 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: SET2
Replicates: 2
Raw OD Value: r im 0.7104±0.00714178
Normalized OD Score: sc h 0.9971±0.00159815
Z-Score: -0.1712±0.0929806
p-Value: 0.864344
Z-Factor: -10.7919
Fitness Defect: 0.1458
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:2007-11-15 YYYY-MM-DD
Plate CH Control (+):0.041125±0.00038
Plate DMSO Control (-):0.707625±0.01120
Plate Z-Factor:0.9483
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DBLink | Rows returned: 20<< Back 1 2 3 4 Next >> 
4327751 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-dode
cahydro-1H-picene-2-carboxylate
5311038 (2S,4aR,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
5702179 disodium
(2S,4aR,6aS,6bR,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
6419769 (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; sodium
6602447 (2S,4aR,6aS,6bR,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
6604513 disodium
(2R,4aR,6aR,6aR,6bS,8aS,10S,12aS,14bS)-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

internal high similarity DBLink | Rows returned: 0

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

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