Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.8460±0.0100409
Normalized OD Score: sc h 1.0242±0.00653672
Z-Score: -0.3691±0.289404
p-Value: 0.717778
Z-Factor: -5.93588
Fitness Defect: 0.3316
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:6|G6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09149999999999998±0.00600
Plate DMSO Control (-):0.9742499999999997±0.04651
Plate Z-Factor:0.8471
png
ps
pdf

DBLink | Rows returned: 20<< Back 1 2 3 4
6604514 (2R,4aR,6aR,6aR,6bS,8aS,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
6917887 (2S,4aR,6aS,6aS,6bR,10S,12aS,14bS)-10-[(1S,2R)-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

internal high similarity DBLink | Rows returned: 0

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

Service provided by the Mike Tyers Laboratory