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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL635
CHEMBL635
Compound Name PREDNISONE
ChEMBL Synonyms LODOTRA | PREDNISONE | DELTA-DOME | PREDNISONE INTENSOL | PREDNICEN-M | ORASONE | PARACORT | Sterapred | SERVISONE | RAYOS | LIQUID PRED | DELTASONE | FERNISONE | DECORTISYL | METICORTEN | CORTAN | CORTANCYL
Max Phase 4 (Approved)
Trade Names FERNISONE | PREDNISONE | DELTASONE | LIQUID PRED | RAYOS | ORASONE | PARACORT | Sterapred | DELTA-DOME | PREDNISONE INTENSOL | CORTAN | CORTANCYL | DECORTISYL | LODOTRA | METICORTEN | PREDNICEN-M | SERVISONE
Molecular Formula C21H26O5

Additional synonyms for CHEMBL635 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@ ...
Download SMILES
Standard InChI InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(2 ...
Download InChI
Standard InChI Key XOFYZVNMUHMLCC-ZPOLXVRWSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL635

Molecule Features

CHEMBL635 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor agonist Glucocorticoid receptor ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease3ClinicalTrials
Burkitt LymphomaD002051EFO:0000309Burkitts lymphoma2ClinicalTrials
Churg-Strauss SyndromeD015267EFO:0007208Churg-Strauss syndrome2ClinicalTrials
Conjunctivitis, AllergicD003233EFO:0007141allergic conjunctivitis4DailyMed
Cystic FibrosisD003550Orphanet:586Cystic fibrosis3ClinicalTrials
Dermatitis, ContactD003877EFO:0005319contact dermatitis4DailyMed
DermatomyositisD003882EFO:0000398dermatomyositis4ClinicalTrials
DailyMed
Leukemia, Biphenotypic, AcuteD015456EFO:0000209T-cell acute lymphoblastic leukemia3ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma3ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma3ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma3ClinicalTrials
Microscopic PolyangiitisD055953EFO:1000784microscopic polyangiitis3ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
Myeloproliferative DisordersD009196EFO:0004251myeloproliferative disorder2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
Optic NeuritisD009902EFO:0007405optic neuritis4DailyMed
Pulmonary EosinophiliaD011657EFO:0007257eosinophilic pneumonia4DailyMed
Purpura, Schoenlein-HenochD011695EFO:1000965Henoch-Schoenlein purpura2ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0005854allergic rhinitis4DailyMed
SciaticaD012585HP:0011868Sciatica3ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis2ClinicalTrials
Anti-Neutrophil Cytoplasmic Antibody-Associated VasculitisD056648EFO:0004826anti-neutrophil antibody associated vasculitis3ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis4ClinicalTrials
DailyMed
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma2ClinicalTrials
Dermatitis HerpetiformisD003874EFO:1000684dermatitis herpetiformis4DailyMed
Dermatitis, ExfoliativeD0038734DailyMed
Gastrointestinal Stromal TumorsD046152Orphanet:44890Gastrointestinal stromal tumor2ClinicalTrials
Heart FailureD006333EFO:0003144heart failure3ClinicalTrials
HemangiomaD006391EFO:1000635hemangioma2ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia3ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
Lung DiseasesD008171EFO:0003818lung disease2ClinicalTrials
Lymphohistiocytosis, HemophagocyticD051359Orphanet:158038Primary hemophagocytic lymphohistiocytosis2ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Multiple Sclerosis, Relapsing-RemittingD020529EFO:0003929relapsing-remitting multiple sclerosis2ClinicalTrials
Nephrotic SyndromeD009404EFO:0004255nephrotic syndrome4ClinicalTrials
DailyMed
PemphigusD010392EFO:0004719pemphigus vulgaris4ClinicalTrials
DailyMed
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
Spondylitis, AnkylosingD013167EFO:0003898ankylosing spondylitis4DailyMed
SynovitisD0135854DailyMed
Thyroiditis, SubacuteD013968EFO:1001194subacute thyroiditis4DailyMed
UveitisD014605EFO:1001231uveitis3ClinicalTrials
Adrenal Hyperplasia, CongenitalD000312Orphanet:90794Classic congenital adrenal hyperplasia due to 21-hydroxylase deficiency4DailyMed
Adrenal InsufficiencyD0003092ClinicalTrials
Anemia, HemolyticD000743EFO:0005558hemolytic anemia4DailyMed
Anemia, Hemolytic, AutoimmuneD000744EFO:1001264Anemia, Hemolytic, Autoimmune2ClinicalTrials
Arthritis, JuvenileD001171EFO:0002609chronic childhood arthritis4DailyMed
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials
ChorioretinitisD0028254DailyMed
Giant Cell ArteritisD013700EFO:1001209temporal arteritis3ClinicalTrials
Glucose IntoleranceD018149HP:0000833Glucose intolerance1ClinicalTrials
Hemophilia AD006467Orphanet:98878Hemophilia A2ClinicalTrials
Hypereosinophilic SyndromeD017681EFO:1001467Hypereosinophilic syndrome3ClinicalTrials
LeukemiaD007938EFO:0000565leukemia4ClinicalTrials
DailyMed
Lupus NephritisD008181EFO:0005761lupus nephritis3ClinicalTrials
LymphomaD008223EFO:0000574lymphoma4ClinicalTrials
DailyMed
Lymphoma, Large-Cell, AnaplasticD017728EFO:0003032anaplastic large cell lymphoma2ClinicalTrials
Lymphoproliferative DisordersD0082322ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis1ClinicalTrials
Peripheral Nervous System DiseasesD010523EFO:0004149neuropathy3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000196metastatic prostate cancer3ClinicalTrials
Stevens-Johnson SyndromeD013262EFO:0004276Stevens-Johnson syndrome4DailyMed
Tennis ElbowD0137164DailyMed
UrticariaD014581EFO:0005531urticaria2ClinicalTrials
Vestibular NeuronitisD020338EFO:0007537vestibular neuronitis2ClinicalTrials
Addison DiseaseD0002244DailyMed
Arthritis, GoutyD015210EFO:0004274gout4DailyMed
Autoimmune DiseasesD001327EFO:0005140autoimmune disease2ClinicalTrials
DermatomyositisD003882EFO:0000557juvenile dermatomyositis4ClinicalTrials
Fanconi AnemiaD005199Orphanet:84Fanconi anemia1ClinicalTrials
FibrosisD005355EFO:0006890fibrosis2ClinicalTrials
Glomerulonephritis, IGAD005922EFO:0004194IGA glomerulonephritis3ClinicalTrials
Hearing Loss, SensorineuralD006319EFO:1001176sensorineural hearing loss2ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection2ClinicalTrials
Histiocytosis, Langerhans-CellD006646EFO:1000318Langerhans Cell Histiocytosis3ClinicalTrials
HypercalcemiaD006934HP:0003072Hypercalcemia4DailyMed
IritisD007500EFO:1000997iritis4DailyMed
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus4ClinicalTrials
DailyMed
Lymphoma, AIDS-RelatedD016483EFO:1001365Lymphoma, AIDS-Related2ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia4ClinicalTrials
DailyMed
PsoriasisD011565EFO:0000676psoriasis4DailyMed
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease3ClinicalTrials
Anemia, Diamond-BlackfanD029503Orphanet:124Blackfan-Diamond anemia1ClinicalTrials
BerylliosisD001607EFO:0007168berylliosis4DailyMed
BursitisD002062EFO:1000941frozen shoulder4DailyMed
Embolism, CholesterolD017700EFO:0005801cholesterol embolism2ClinicalTrials
Erythema MultiformeD004892EFO:1000694erythema multiforme4DailyMed
Granulomatosis with PolyangiitisD014890EFO:0005297Wegener's granulomatosis3ClinicalTrials
Hepatitis, AutoimmuneD019693EFO:0005676Autoimmune Hepatitis2ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease3ClinicalTrials
Muscular Dystrophy, DuchenneD020388Orphanet:98896Duchenne muscular dystrophy3ClinicalTrials
Nasal PolypsD009298EFO:1000391Nasal Cavity Polyp3ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials
Purpura, Thrombocytopenic, IdiopathicD016553EFO:0007160autoimmune thrombocytopenic purpura4ClinicalTrials
DailyMed
Rhinitis, Allergic, PerennialD012221EFO:1001417Rhinitis, Allergic, Perennial3ClinicalTrials
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials
Thrombocythemia, EssentialD013920EFO:0000479essential thrombocythemia2ClinicalTrials
Thymus NeoplasmsD013953EFO:0002626thymus neoplasm2ClinicalTrials
Uveitis, PosteriorD015866EFO:1001119posterior uveitis4DailyMed
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia3ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Dermatitis, AtopicD003876EFO:0000274atopic eczema4DailyMed
Dermatitis, SeborrheicD012628EFO:1000764seborrheic dermatitis4DailyMed
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
Herpes Zoster OphthalmicusD006563EFO:0007403ophthalmic herpes zoster4DailyMed
Immunoblastic LymphadenopathyD007119EFO:0000255angioimmunoblastic T-cell lymphoma2ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Lichen PlanusD008010EFO:1000726lichen planus2ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma3ClinicalTrials
Myasthenia GravisD009157EFO:0004991Myasthenia gravis3ClinicalTrials
Mycosis FungoidesD009182EFO:1001051mycosis fungoides4DailyMed
MyocarditisD0092054DailyMed
Ophthalmia, SympatheticD009879EFO:1001205sympathetic ophthalmia4DailyMed
OsteoarthritisD010003EFO:0002506osteoarthritis4DailyMed
Polycythemia VeraD011087EFO:0002429polycythemia vera2ClinicalTrials
Primary MyelofibrosisD055728EFO:0002430primary myelofibrosis2ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0003956seasonal allergic rhinitis4DailyMed
SarcomaD012509EFO:0000691sarcoma2ClinicalTrials
Serum SicknessD0127134DailyMed
Tuberculosis, PulmonaryD014397EFO:1000049pulmonary tuberculosis4DailyMed
Arthritis, PsoriaticD015535EFO:0003778psoriatic arthritis4DailyMed
Castleman DiseaseD005871EFO:1001332Giant Lymph Node Hyperplasia2ClinicalTrials
Crohn DiseaseD003424EFO:0000384Crohn's disease4ClinicalTrials
DailyMed
DeafnessD003638EFO:0001063deafness3ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer3ClinicalTrials
Graves OphthalmopathyD049970EFO:1001466Graves ophthalmopathy2ClinicalTrials
Hearing LossD034381EFO:0004238hearing loss2ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease3ClinicalTrials
Heart FailureD006333EFO:0000373congestive heart failure3ClinicalTrials
Hepatitis, AlcoholicD006519EFO:1001345Hepatitis, Alcoholic2ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma3ClinicalTrials
HypersensitivityD006967EFO:0003785allergy2ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
Lymphoma, T-Cell, PeripheralD016411EFO:0000211unspecified peripheral T-cell lymphoma3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma3ClinicalTrials
TenosynovitisD013717EFO:1001435Tenosynovitis4DailyMed
Anemia, AplasticD000741HP:0001915aplastic anemia4DailyMed
ArthritisD001168EFO:0005856arthritis4DailyMed
AsthmaD001249EFO:0000270asthma4ClinicalTrials
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CardiomyopathiesD009202EFO:0000318cardiomyopathy3ClinicalTrials
ChoroiditisD0028334DailyMed
Colitis, UlcerativeD003093EFO:0000729ulcerative colitis4ClinicalTrials
DailyMed
Glomerulonephritis, MembranousD015433EFO:0004254membranous glomerulonephritis2ClinicalTrials
Glomerulosclerosis, Focal SegmentalD005923EFO:0004236focal segmental glomerulosclerosis2ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease3ClinicalTrials
Idiopathic Pulmonary FibrosisD054990EFO:0000768idiopathic pulmonary fibrosis2ClinicalTrials
IridocyclitisD0158634DailyMed
KeratitisD0076344DailyMed
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells3ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma3ClinicalTrials
PolymyositisD017285EFO:0003063polymyositis4ClinicalTrials
DailyMed
SarcoidosisD012507Orphanet:797Sarcoidosis4ClinicalTrials
DailyMed
Sarcoidosis, PulmonaryD017565DOID:13406pulmonary sarcoidosis3ClinicalTrials
ThrombocytopeniaD013921HP:0001873thrombocytopenia4DailyMed
TrichinellosisD014235EFO:0007520trichinosis4DailyMed
Tuberculosis, MeningealD014390EFO:1000039meningeal tuberculosis4DailyMed

Clinical Data

ClinicalTrials.gov PREDNISONE
The Cochrane Collaboration PREDNISONE

Metabolites for CHEMBL635

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL635. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3056 Androgen Receptor Mus musculus 0.999
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.993
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.993
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.983
CHEMBL3041 Mu opioid receptor Bos taurus 0.976
CHEMBL1871 Androgen Receptor Homo sapiens 0.959
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.915
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.897
CHEMBL208 Progesterone receptor Homo sapiens 0.886
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.882
CHEMBL3401 Pregnane X receptor Homo sapiens 0.241



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 0.997
CHEMBL3318 Tyrosinase Agaricus bisporus 0.997
CHEMBL3056 Androgen Receptor Mus musculus 0.994
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.993
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.992
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.990
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.989
CHEMBL208 Progesterone receptor Homo sapiens 0.983
CHEMBL3041 Mu opioid receptor Bos taurus 0.981

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
358.4 358.178 1.77 2 91.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.36 - 1.57 1.57 0 26 0.78

Structural Alerts

There are 5 structural alerts for CHEMBL635. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07E - INTESTINAL ANTIINFLAMMATORY AGENTS
A07EA - Corticosteroids acting locally
A07EA03 - prednisone

H - SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 - CORTICOSTEROIDS FOR SYSTEMIC USE
H02A - CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AB - Glucocorticoids
H02AB07 - prednisone

ChemSpider ChemSpider:XOFYZVNMUHMLCC-ZPOLXVRWSA-N
DailyMed prednisone
PubChem SID: 144204565 SID: 144208762 SID: 144210516 SID: 170464847 SID: 17389753 SID: 50085971 SID: 56314869 SID: 75351
Wikipedia Prednisone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL635



Brenda 90423 145066 90706 90421 104334 44723 145980
ChEBI 8382
ChemicalBook CB6716222
DrugBank DB00635
DrugCentral 2253
eMolecules 31411020 494851 29549912 29703823
EPA CompTox Dashboard DTXSID4021185
FDA SRS VB0R961HZT
Guide to Pharmacology 7096
Human Metabolome Database HMDB0014773
IBM Patent System DF5369110CBC1112659D9E7E88CB42F2
KEGG Ligand C07370
LINCS LSM-24953
LipidMaps LMST02030180
Mcule MCULE-2603291254
MolPort MolPort-001-740-041
NIH Clinical Collection SAM002264641
Nikkaji J4.137H
PharmGKB PA451100
PubChem 5865
PubChem: Drugs of the Future 125299297
PubChem: Thomson Pharma 14876665 14901277
Selleck Prednisone
SureChEMBL SCHEMBL3288
ZINC ZINC000003875357

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XOFYZVNMUHMLCC-ZPOLXVRWSA-N spacer
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