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Compound InformationSONAR Target prediction
Name:

HYDROCORTISONE HEMISUCCINATE

Unique Identifier:SPE01500339
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:428.263 g/mol
X log p:-1.51  (online calculus)
Lipinksi Failures0
TPSA77.51
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)COC(=O)CCC(O)=O)C3(C)CC(O)C12
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [205]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.8380±0.00190919
Normalized OD Score: sc h 0.9936±0.000850348
Z-Score: 0.6729±0.0407742
p-Value: 0.501176
Z-Factor: -3.19181
Fitness Defect: 0.6908
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:3|C9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09650000000000002±0.00356
Plate DMSO Control (-):0.96875±0.02980
Plate Z-Factor:0.8480
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DBLink | Rows returned: 241 2 3 4 Next >> 
3643 4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthre
n-17-yl)-2-oxo-ethoxy]-4-oxo-butanoic acid
16623 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
31314 sodium
4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthre
n-17-yl)-2-oxo-ethoxy]-4-oxo-butanoate
219121 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid hydrate
246168 4-[2-[(8R,10S,11R,13R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclop
enta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
441408 sodium
4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate

internal high similarity DBLink | Rows returned: 5
SPE01503723 0.9121
NRB 03740 0.9167
SPE01500338 0.9167
SPE01503273 0.9524
LOPAC 00944 1.0000

active | Cluster 10196 | Additional Members: 12 | Rows returned: 0
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