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Compound InformationSONAR Target prediction
Name:

METHYLPREDNISOLONE

Unique Identifier:SPE01500406
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:344.232 g/mol
X log p:3.897  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
Source:semisynthetic
Therapeutics:glucocorticoid
Generic_name:Prednisolone
Chemical_iupac_name:11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-
dodecahydrocyclopenta[a]phenanthren-3-one
Drug_type:Approved Drug
Pharmgkb_id:PA451096
Kegg_compound_id:C07369
Drugbank_id:APRD00197
Melting_point:235 oC
H2o_solubility:223 mg/L
Logp:1.705
Cas_registry_number:50-24-8
Drug_category:Antineoplastic Agents; Glucocorticoids; Anti-inflammatory Agents; AdrenergicAgents;
ATC:A07EA01; ATC:C05AA04; ATC:D07AA01; ATC:D07AA03; ATC:D07AC14;ATC:D07XA02;
ATC:D10AA02; ATC:H02AB04; ATC:H02AB06; ATC:R01AD02; ATC:S01BA04;ATC:S01CB02;
ATC:S02BA03; ATC:S03BA02
Indication:For the treatment of primary or secondary adrenocortical insufficiency, such as
congenital adrenal hyperplasia, thyroiditis. Also used to treat psoriatic arthritis,
rheumatoid arthritis, ankylosing spondylitis, bursitis, acute gouty arthritis and
epicondylitis. Also indicated for treatment of systemic lupus erythematosus,
pemphigus and acute rhematic carditis. Can be used in the treatment of leukemias,
lymphomas, thrombocytopenia purpura and autoimmune hemolytic anemia. Can be used to
treat celiac disease, insulin resistance, ulcerative colitis and liver disorders.
Pharmacology:Prednisolone is a synthetic glucocorticoid used as antiinflammatory or
immunosuppressive agent. Prednisolone is indicated in the treatment of various
conditions, including congenital adrenal hyperplasia, psoriatic arthritis, systemic
lupus erythematosus, bullous dermatitis herpetiformis, seasonal or perennial
allergic rhinitis, allergic corneal marginal ulcers, symptomatic sarcoidosis,
idiopathic thrombocytopenic purpura in adults, leukemias and lymphomas in adults,
and ulcerative colitis. Glucocorticoids are adrenocortical steroids and cause
profound and varied metabolic effects. In addition, they modify the body-s immune
responses to diverse stimuli.
Mechanism_of_action:Glucocorticoids such as Prednisolone can inhibit leukocyte infiltration at the site
of inflammation, interfere with mediators of inflammatory response, and suppress
humoral immune responses. The antiinflammatory actions of glucocorticoids are
thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control
the biosynthesis of potent mediators of inflammation such as prostaglandins and
leukotrienes. Prednisolone reduces inflammatory reaction by limiting the capillary
dilatation and permeability of the vascular structures. These compounds restrict the
accumulation of polymorphonuclear leukocytes and macrophages and reduce the release
of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the
release of arachidonic acid from phospholipids, thereby reducing the formation of
prostaglandins. Prednisolone is a glucocorticoid receptor agonist. On binding, the
corticoreceptor-ligand complex translocates itself into the cell nucleus, where it
binds to many glucocorticoid response elements (GRE) in the promoter region of the
target genes. The DNA bound receptor then interacts with basic transcription
factors, causing an increase or decrease in expression of specific target genes,
including suppression of IL2 (interleukin 2) expression.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ARC18
Replicates: 2
Raw OD Value: r im 0.6609±0.0190919
Normalized OD Score: sc h 0.9922±0.0156053
Z-Score: -0.3591±0.710245
p-Value: 0.637626
Z-Factor: -8.0216
Fitness Defect: 0.45
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.80 Celcius
Date:2008-02-28 YYYY-MM-DD
Plate CH Control (+):0.042124999999999996±0.00371
Plate DMSO Control (-):0.654825±0.02120
Plate Z-Factor:0.8939
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DBLink | Rows returned: 29<< Back 1 2 3 4 5 Next >> 
3595301 11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]p
henanthren-3-one
5702085 (6S,10S,11S,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahyd
ro-6H-cyclopenta[a]phenanthren-3-one
5702106 (10S,11S,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-
cyclopenta[a]phenanthren-3-one
6451420 (8S,9S,10S,11S,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,1
5,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
6546949 (6R,8S,9S,10S,11R,13R,14R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,
16-octahydro-6H-cyclopenta[a]phenanthren-3-one
6546951 (8S,9R,10S,11R,13S,14R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-oct
ahydro-6H-cyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 1
SPE01500496 1.0000

active | Cluster 8234 | Additional Members: 4 | Rows returned: 0

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