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Compound InformationSONAR Target prediction
Name:

FLURANDRENOLIDE

Unique Identifier:SPE01501175
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:semisynthetic
Therapeutics:antiinflammatory
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: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: DCC1
Replicates: 2
Raw OD Value: r im 0.6143±0.0152735
Normalized OD Score: sc h 0.9921±0.0107299
Z-Score: -0.3593±0.48307
p-Value: 0.734636
Z-Factor: -108.358
Fitness Defect: 0.3084
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-25 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00112
Plate DMSO Control (-):0.635175±0.02270
Plate Z-Factor:0.8597
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DBLink | Rows returned: 4
3392
15209
5702172
6604301

internal high similarity DBLink | Rows returned: 1
SPE01501187 0.9043

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

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