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Compound InformationSONAR Target prediction
Name:

MEDRYSONE

Unique Identifier:SPE01500380
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:312.234 g/mol
X log p:1.024  (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
Source:semisynthetic
Therapeutics:glucocorticoid
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: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: RBL2
Replicates: 2
Raw OD Value: r im 0.6974±0.00827315
Normalized OD Score: sc h 0.9883±0.00137126
Z-Score: -0.6583±0.0860297
p-Value: 0.51114
Z-Factor: -12.7828
Fitness Defect: 0.6711
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2008-06-03 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00064
Plate DMSO Control (-):0.6972±0.02094
Plate Z-Factor:0.8862
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DBLink | Rows returned: 422 3 4 5 6 7 Next >> 
4043 17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren
-3-one
92730 (8S,9S,10R,11R,13R,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydr
ocyclopenta[a]phenanthren-3-one
92750 (8S,9S,10R,13R,14S,17S)-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
101788 (8S,9S,10R,11S,13R,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydr
ocyclopenta[a]phenanthren-3-one
220502 17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-
one
241525 17-acetyl-11-hydroxy-2,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren
-3-one

internal high similarity DBLink | Rows returned: 132 3 Next >> 
SPE00307023 0.9167
SB 01709 0.9167
NRB 04205 0.9167
NRB 03896 0.9167
NRB 03850 0.9167
NRB 03833 0.9167

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

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