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Compound InformationSONAR Target prediction
Name:

PREDNISONE

Unique Identifier:SPE01500499
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:332.222 g/mol
X log p:3.784  (online calculus)
Lipinksi Failures0
TPSA51.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
Source:semisynthetic
Therapeutics:glucocorticoid
Generic_name:Prednisone
Chemical_iupac_name:17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-
6H-cyclopenta[a]phenanthrene-3,11-dione
Drug_type:Approved Drug
Pharmgkb_id:PA451100
Kegg_compound_id:C07370
Drugbank_id:APRD00340
Melting_point:233 - 235 oC
H2o_solubility:312 mg/L
Logp:1.471
Cas_registry_number:03/02/1953
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C53032&Index=0&Type=Mass&Large=on
Drug_category:Antineoplastic Agents; Glucocorticoids; Anti-inflammatory Agents; Adrenergic Agents;
ATC:A07EA03; ATC:H02AB07; ATC:H02AB15
Indication:Systemic use: for the treatment of drug-induced allergic reactions, perennial
or seasonal allergic rhinitis, serum sickness, giant cell arteritis acute rheumatic
or nonrheumatic carditis, systemic dermatomyositis, systemic lupus erythematosus,
atopic dermatitis, contact dermatitis, exfoliative dermatitis, bullous dermatitis
herpetiformis, severe seborrheic dermatitis, severe (Stevens-Johnson syndrome)
erythema multiforme, mycosis fungoides, pemphigus, severe psoriasis, acute
adrenocortical insufficiency, Addison-s disease, secondary adrenocortical
insufficiency, congenital adrenal hyperplasia, hypercalcemia associated with
neoplasms, nonsuppurative thyroiditis, ulceratice colitis, Crohn-s disease, acquired
hemolytic anemia, congenital hypoplastic anemia, erythroblastopenia, adult secondary
thrombocytopenia, adult idiopathic thrombocytopenia purpura, acute or subacute
bursitis, epicondylitis, acute nonspecific tenosynovitis, acute or chronic
lymphocytic leukemia, Hodgkin-s or non-Hodgkin-s lynphomas, Waldenstrom-s
macroglobulinemia, primary brain tumors (adjunct), nephrotic syndrome, tuberculous
meningitis, multiple sclerosis, myasthenia gravis. cerebral edema, chorioretinitis,
diffuse posterior choroiditis, aleergic conjunctivitis, Herpes zoster ophthalmicus,
anterior segment inflammation, iridocyclitis, iritis, keratitis, optoc neuritis,
sympathetic ophthalmia, corneal marginal allergic ulcers, symptomatic sarcoidosis,
Loeffler-s syndrome not manageable by other means, berylliosis, fulminating or
disseminated pulmonary tuberculosis when used concurrently with appropriate
antituberculous chemotherapy and aspiration pneumonitis.
Pharmacology:Prednisone, the most commonly-prescribed corticosteroid, is used to treat allograft
rejection, asthma, systemic lupus erythematosus, and many other inflammatory states.
Prednisone has very little mineralocorticoid activity.
Mechanism_of_action:Prednisone is a glucocorticoid agonist. It is first metabolized in the liver to its
active form, prednisolone. Prednisolone crosses cell membranes and binds with high
affinity to specific cytoplasmic receptors. The result includes inhibition of
leukocyte infiltration at the site of inflammation, interference in the function of
mediators of inflammatory response, suppression of humoral immune responses, and
reduction in edema or scar tissue. The antiinflammatory actions of corticosteroids
are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which
control the biosynthesis of potent mediators of inflammation such as prostaglandins
and leukotrienes.
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: ABP1
Replicates: 2
Raw OD Value: r im 0.7048±0.00473762
Normalized OD Score: sc h 0.9894±0.00558686
Z-Score: -0.5420±0.263914
p-Value: 0.594294
Z-Factor: -6.69674
Fitness Defect: 0.5204
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041925000000000004±0.00233
Plate DMSO Control (-):0.6859500000000001±0.01433
Plate Z-Factor:0.9184
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DBLink | Rows returned: 172 3 Next >> 
4063 17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren
e-3,11-dione
4900 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,
11-dione
5865 (8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocycl
openta[a]phenanthrene-3,11-dione
14724 (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phena
nthrene-3,11-dione
124653 (6S,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahyd
rocyclopenta[a]phenanthrene-3,11-dione
637260 (8R,9R,10R,13R,14R,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocycl
openta[a]phenanthrene-3,11-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 17014 | Additional Members: 17 | Rows returned: 2
Prest1079 0.577319587628866
Prest840 0.425287356321839

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