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Compound InformationSONAR Target prediction
Name:

Flurandrenolide

Unique Identifier:Prest1065
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24FH33O6
Molecular Weight:406.275 g/mol
X log p:-0.21  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:CC1(C)OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO
Generic_name:Flurandrenolide
Chemical_iupac_name:6-fluoro-11,21 dihydroxy-16,17-[(l-methylethylidene) bis (oxy)]-, (6?, 11?, 16?)-
Pregn-4-ene-3,20-dione
Drug_type:Approved Drug
Pharmgkb_id:PA449680
Kegg_compound_id:D00328
Drugbank_id:APRD00982
Melting_point:251 oC
H2o_solubility:Insoluble
Logp:2.887
Cas_registry_number:1524-88-5
Drug_category:Anti-Inflammatory Agents; Glucocorticoids
Indication:For relief of the inflammatory and pruritic manifestations of
corticosteroid-responsive dermatoses, particularly dry, scaling localized lesions
Organisms_affected:Humans and other mammals

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2052.0000±0
Normalized OD Score: sc h 1.0303±0
Z-Score: 0.6832±0
p-Value: 0.494498
Z-Factor: -6.5461
Fitness Defect: 0.7042
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|A6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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DBLink | Rows returned: 4
3392
15209
5702172
6604301

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2095 | Additional Members: 14 | Rows returned: 13<< Back 1 2 3 Next >> 
Prest223 0.41304347826087
SPE01501187 0.41304347826087
Prest1099 0.406593406593407
SPE01500587 0.305882352941176
Prest1066 0.202380952380952
SPE01500303 0.202380952380952

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