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Compound InformationSONAR Target prediction
Name:

HYDROCORTISONE PHOSPHATE TRIETHYLAMINE

Unique Identifier:SPE01500340
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:457.173 g/mol
X log p:-2.384  (online calculus)
Lipinksi Failures0
TPSA116.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:[Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)C
C21C
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: RSC2
Replicates: 2
Raw OD Value: r im 0.3649±0.0339411
Normalized OD Score: sc h 0.9982±0.0314216
Z-Score: -0.0448±0.834507
p-Value: 0.55553
Z-Factor: -16.2171
Fitness Defect: 0.5878
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-12-12 YYYY-MM-DD
Plate CH Control (+):0.04345±0.00146
Plate DMSO Control (-):0.363975±0.01598
Plate Z-Factor:0.8370
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DBLink | Rows returned: 81 2 Next >> 
3644 11,17-dihydroxy-10,13-dimethyl-17-(2-phosphonatooxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclope
nta[a]phenanthren-3-one
3645 [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-
17-yl)-2-oxo-ethoxy]phosphonic acid
19738 [2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenan
thren-17-yl]-2-oxo-ethoxy]phosphonic acid
22319 disodium
(17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-phosphonatooxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-c
yclopenta[a]phenanthren-3-one
441406 disodium
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-phosphonatooxyacetyl)-2,6,7,8,9,11,12,1
4,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
441407 [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-decahydro-
1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 10196 | Additional Members: 12 | Rows returned: 101 2 Next >> 
Prest672 0.392405063291139
LOPAC 00759 0.392405063291139
SPE01503273 0.375
SPE01505438 0.352272727272727
SPE01500339 0.2625
LOPAC 00944 0.243589743589744

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