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Compound InformationSONAR Target prediction
Name:

Carbenoxolone disodium salt

Unique Identifier:Prest19
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C34H48Na2O7
Molecular Weight:569.363 g/mol
X log p:-0.796  (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
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: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1012.0000±0
Normalized OD Score: sc h 1.0020±0
Z-Score: 0.0445±0
p-Value: 0.964478
Z-Factor: -17.4859
Fitness Defect: 0.0362
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:11|D8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):853.5±701.09504
Plate DMSO Control (-):849±311.18603
Plate Z-Factor:-72.3031
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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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