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Compound InformationSONAR Target prediction
Name:

Flurandrenolide

Unique Identifier:LAT002B11
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24FH33O6
Molecular Weight:403.252 g/mol
X log p:-0.441  (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: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.8124±0.00106066
Normalized OD Score: sc h 0.9999±0.000624529
Z-Score: 0.1809±0.178449
p-Value: 0.857576
Z-Factor: -617.924
Fitness Defect: 0.1536
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04±0.00274
Plate DMSO Control (-):0.810125±0.01183
Plate Z-Factor:0.9322
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DBLink | Rows returned: 4
3392
15209
5702172
6604301

internal high similarity DBLink | Rows returned: 2
Prest1065 1.0000
SPE01501175 1.0000

active | Cluster 2095 | Additional Members: 14 | Rows returned: 0

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