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Compound InformationSONAR Target prediction
Name:

Medrysone

Unique Identifier:Prest89
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H32O3
Molecular Weight:315.257 g/mol
X log p:1.255  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC1CC2C3CCC(C(C)=O)C3(C)CC(O)C2C2(C)CCC(=O)C=C12
Generic_name:Medrysone
Chemical_iupac_name:17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-one
Drug_type:Approved Drug
Pharmgkb_id:PA450346
Kegg_compound_id:C14643
Drugbank_id:APRD01091
Melting_point:156.5 oC
Logp:3.291
Cas_registry_number:2668-66-8
Drug_category:Topical anti-inflammatory Agent; ATC:S01BA08
Indication:For the treatment of allergic conjunctivitis, vernal conjunctivitis, episcleritis,
and epinephrine sensitivity.
Pharmacology:Medrysone is a topical anti-inflammatory corticoidsteroids for ophthalmic use. In
patients with increased intraocular pressure and in those susceptible to a rise in
intraocular pressure, there is less effect on pressure with medrysone than with
dexamethasone or betamethasone. Corticoidsteroids inhibit the edema, fibrin
deposition, capillary dilation, and phagocytic migration of the acute inflammatory
response, as well as capillary proliferation, deposition of collagen, and scar
formation.
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: 3 nonactive as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 7029.0000±0
Normalized OD Score: sc h 0.9799±0
Z-Score: -0.4527±0
p-Value: 0.65074
Z-Factor: -39.0762
Fitness Defect: 0.4296
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|C4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):870.5±769.75857
Plate DMSO Control (-):982.5±305.13061
Plate Z-Factor:-45.8313
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DBLink | Rows returned: 42<< Back 1 2 3 4 5 6 7 Next >> 
242492 (6S,8S,9S,10R,11S,13R,14S,17S)-17-acetyl-11-hydroxy-6,10,11,13-tetramethyl-2,6,7,8,9,12,14,15,16,17-deca
hydro-1H-cyclopenta[a]phenanthren-3-one
247839 (6S,8S,9S,10R,11S,13R,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dode
cahydrocyclopenta[a]phenanthren-3-one
248319 17-acetyl-11-hydroxy-10,12,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthre
n-3-one
440105 (8S,9S,10R,11R,13R,14S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyc
lopenta[a]phenanthren-3-one
2825556 (11R)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanth
ren-3-one
4161786 17-acetyl-8-hydroxy-13-methyl-1,2,6,7,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 7623 | Additional Members: 3 | Rows returned: 0

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