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Compound InformationSONAR Target prediction
Name:

FLUOCINOLONE ACETONIDE

Unique Identifier:SPE01500302
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:422.25 g/mol
X log p:4.24  (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)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO
Source:semisynthetic
Therapeutics:glucocorticoid, antiinflammatory
Generic_name:Fluocinolone Acetonide
Drug_type:Approved Drug
Pharmgkb_id:PA449663
Kegg_compound_id:D01825
Drugbank_id:APRD00977
Melting_point:265-266 oC
H2o_solubility:11 mg/L
Logp:2.698
Cas_registry_number:67-73-2
Drug_category:Anti-Inflammatory Agents; Glucocorticoids; Antipruritics; ATC:C05AA10; ATC:D07AC04
Indication:For the relief of the inflammatory and pruritic manifestations of
corticosteroid-responsive dermatoses. For the treatment of chronic non-infectious
uveitis affecting the posterior segment of the eye (Retisert).
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5310±0.0294156
Normalized OD Score: sc h 1.0030±0.0312529
Z-Score: -0.3073±0.273308
p-Value: 0.76293
Z-Factor: -4.9569
Fitness Defect: 0.2706
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00056
Plate DMSO Control (-):0.486±0.02470
Plate Z-Factor:0.8167
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DBLink | Rows returned: 14<< Back 1 2 3 Next >> 
6710651 n/a
6712956 n/a
7067799 n/a
7163185 n/a
7163186 n/a
7565579 -1

internal high similarity DBLink | Rows returned: 3
SPE01500303 0.9375
SPE01501187 0.9417
SPE01500587 0.9500

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

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