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Compound InformationSONAR Target prediction
Name:

CLOBETASOL PROPIONATE

Unique Identifier:SPE01503918
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:434.716 g/mol
X log p:5.028  (online calculus)
Lipinksi Failures1
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)C(=O)CCl
Source:synthetic
Therapeutics:glucocorticoid, antiinflammatory
Generic_name:Clobetasol
Chemical_iupac_name:[17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Drug_type:Approved Drug
Pharmgkb_id:PA449040
Kegg_compound_id:D01272
Drugbank_id:APRD00876
Melting_point:195.5-197 oC
H2o_solubility:3.86 mg/L
Logp:3.588
Cas_registry_number:25122-46-7
Drug_category:Corticosteroids, topical; ATC:D07AD01
Indication:For short-term topical treatment of the inflammatory and pruritic manifestations of
moderate to severe corticosteroid-responsive dermatoses of the scalp.
Pharmacology:Like other topical corticosteroids, clobetasol has anti-inflammatory, antipruritic,
and vasoconstrictive properties. It is a very high potency topical corticosteroid
that should not be used with occlusive dressings. It is recommended that treatment
should be limited to 2 consecutive weeks and therapy should be discontinued when
adequate results have been achieved.
Mechanism_of_action:The precise mechanism of the antiinflammatory activity of topical steroids in the
treatment of steroid-responsive dermatoses, in general, is uncertain. 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 121 122 123 124 125 126 127 128 129 130  Next >> [205]
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.6334±0.0130815
Normalized OD Score: sc h 0.9641±0.010355
Z-Score: -1.5907±0.517935
p-Value: 0.135576
Z-Factor: -3.9307
Fitness Defect: 1.9982
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:15|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00166
Plate DMSO Control (-):0.654725±0.02328
Plate Z-Factor:0.8871
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DBLink | Rows returned: 7<< Back 1 2
6713978 [(8S,9R,10S,11S,13S,14S,16S)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,1
2,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 9739 | Additional Members: 15 | Rows returned: 1
Prest25 0.376470588235294

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