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Compound InformationSONAR Target prediction
Name:

HYDROCORTISONE BUTYRATE

Unique Identifier:SPE01503273
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:397.272 g/mol
X log p:-0.605  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:6
Canonical Smiles:CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)CO
Source:semisynthetic
Therapeutics:glucocorticoid, antiinflammatory

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.9390±0.00176777
Normalized OD Score: sc h 1.0256±0.000888305
Z-Score: 0.4907±0.0429698
p-Value: 0.623814
Z-Factor: -3.50516
Fitness Defect: 0.4719
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:7|H11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09649999999999999±0.00404
Plate DMSO Control (-):0.972±0.02829
Plate Z-Factor:0.8725
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DBLink | Rows returned: 6
3642 [11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a
]phenanthren-17-yl] butanoate
26133 [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,
16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
42395 [(17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclop
enta[a]phenanthren-17-yl] pentanoate
5225092 [11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a
]phenanthren-17-yl] pentanoate
5282494 [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,
16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
5702240 [(8S,10R,11S,13S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca
hydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate

internal high similarity DBLink | Rows returned: 4
LOPAC 00944 0.9524
SPE01500339 0.9524
NRB 03740 0.9625
SPE01500338 0.9625

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