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Compound InformationSONAR Target prediction
Name:

FLUOROMETHOLONE

Unique Identifier:SPE01500304
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:347.231 g/mol
X log p:4.254  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC1CC2C3CCC(O)(C(C)=O)C3(C)CC(O)C2(F)C2(C)C=CC(=O)C=C12
Source:semisynthetic
Therapeutics:glucocorticoid, antiinflammatory
Generic_name:Fluorometholone
Chemical_iupac_name:17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydroc
yclopenta[a]phenanthren-3-one
Drug_type:Approved Drug
Pharmgkb_id:PA449670
Kegg_compound_id:C14629
Drugbank_id:APRD00980
Melting_point:297 oC
H2o_solubility:30 mg/L
Logp:2.243
Cas_registry_number:426-13-1
Drug_category:Anti-Allergic Agents; Anti-Inflammatory Agents; Glucocorticoids; ATC:C05AA06;
ATC:D07AB06; ATC:D07XB04; ATC:D10AA01; ATC:S01BA07; ATC:S01CB05
Indication:A topical anti-inflammatory product for ophthalmic use. For the treatment of
corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva,
cornea and anterior segment of the globe
Mechanism_of_action:There is no generally accepted explanation for the mechanism of action of ocular
corticosteroids. However, corticosteroids are thought to act by the induction of
phospholipase A2 inhibitory proteins, collectively called lipocortins. It is
postulated that these proteins control the biosynthesis of potent mediators of
inflammation such as prostaglandins and leukotrienes by inhibiting the release of
their common precursor, arachidonic acid. Arachidonic acid is released from membrane
phospholipids by phospholipase A2.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.8515±0.00162635
Normalized OD Score: sc h 0.9997±0.00130941
Z-Score: 0.6789±0.0160478
p-Value: 0.497256
Z-Factor: -0.984524
Fitness Defect: 0.6987
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:12|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2006-04-19 YYYY-MM-DD
Plate CH Control (+):0.0378±0.00112
Plate DMSO Control (-):0.813125±0.01313
Plate Z-Factor:0.9491
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DBLink | Rows returned: 5
3384 17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanth
ren-3-one
9878 (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16
-octahydrocyclopenta[a]phenanthren-3-one
71106 (8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-3-one
5702058 (6S,9R,11S,13S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydroc
yclopenta[a]phenanthren-3-one
6604245 (6R,8R,9R,10S,11S,13R,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16
-octahydrocyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 4
LOPAC 01262 0.9333
SPE01500586 0.9333
LOPAC 00728 0.9859
SPE01500144 0.9859

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

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