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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1370
CHEMBL1370
Compound Name BUDESONIDE
ChEMBL Synonyms PULMICORT FLEXHALER | ENTOCORT | S-1320 | RHINOCORT | PULMAXAN | ENTOCORT CR | BUDENOFALK | SYMBICORT | CORTIMENT | BUDELIN NOVOLIZER | RHINOCORT AQUA | PREFERID | RHINOCORT ALLERGY | ENTOCORT EC | BUDEFLAM AQUANASE | UCERIS | PULMICORT L.S. | DUORESP SPIROMAX | BUDESONIDE | AIRCORT | PULMICORT RESPULES | RHINOCORT AQUA 64 | PULMICORT
Max Phase 4 (Approved)
Trade Names PULMICORT FLEXHALER | BUDENOFALK | ENTOCORT CR | PULMAXAN | RHINOCORT | UCERIS | BUDELIN NOVOLIZER | CORTIMENT | SYMBICORT | PREFERID | RHINOCORT AQUA | BUDEFLAM AQUANASE | ENTOCORT EC | RHINOCORT ALLERGY | AIRCORT | BUDESONIDE | DUORESP SPIROMAX | PULMICORT L.S. | PULMICORT RESPULES | ENTOCORT | PULMICORT | RHINOCORT AQUA 64
Molecular Formula C25H34O6

Additional synonyms for CHEMBL1370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H ...
Download SMILES
Standard InChI InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8 ...
Download InChI
Standard InChI Key VOVIALXJUBGFJZ-KWVAZRHASA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1370

Molecule Features

CHEMBL1370 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:Y Black Box:Y Availability Type:Over-The-Counter

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DiarrheaD003967HP:0002014diarrhea2ClinicalTrials
Digestive System DiseasesD004066EFO:0000405digestive system disease2ClinicalTrials
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
Rhinitis, Allergic, PerennialD012221EFO:1001417Rhinitis, Allergic, Perennial3ClinicalTrials
Altitude SicknessD000532EFO:1000782altitude sickness3ClinicalTrials
Colitis, MicroscopicD046728EFO:1001295microscopic colitis3ClinicalTrials
Respiratory Distress Syndrome, AdultD012128EFO:1000637acute respiratory distress syndrome2ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0005854allergic rhinitis4ClinicalTrials
DailyMed
Bronchiolitis ObliteransD001989EFO:0007183bronchiolitis obliterans2ClinicalTrials
Cholangitis, SclerosingD015209EFO:0004268sclerosing cholangitis1ClinicalTrials
Nasal PolypsD009298EFO:1000391Nasal Cavity Polyp2ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease4ClinicalTrials
DailyMed
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Colitis, LymphocyticD046730EFO:1001294lymphocytic colitis3ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease3ClinicalTrials
Bronchopulmonary DysplasiaD001997Orphanet:70589Bronchopulmonary dysplasia3ClinicalTrials
Colitis, UlcerativeD003093EFO:0000729ulcerative colitis4ClinicalTrials
DailyMed
DailyMed
Liver Cirrhosis, BiliaryD008105EFO:1001486primary biliary cirrhosis3ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0003956seasonal allergic rhinitis4ClinicalTrials
DailyMed
EmphysemaD004646EFO:0000464emphysema3ClinicalTrials
Glomerulonephritis, IGAD005922EFO:0004194IGA glomerulonephritis2ClinicalTrials
AsthmaD001249EFO:0000270asthma4ClinicalTrials
DailyMed
DailyMed
DailyMed
DailyMed
Crohn DiseaseD003424EFO:0000384Crohn's disease4ClinicalTrials
DailyMed
DailyMed
DailyMed
Eosinophilic EsophagitisD057765EFO:0004232eosinophilic esophagitis3ClinicalTrials
HypersensitivityD006967EFO:0003785allergy2ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
ProctocolitisD011350EFO:1001223ulcerative proctosigmoiditis3ClinicalTrials
Sleep Apnea, ObstructiveD020181EFO:0003918obstructive sleep apnea3ClinicalTrials
Aspergillosis, Allergic BronchopulmonaryD001229EFO:0007140allergic bronchopulmonary aspergillosis2ClinicalTrials
Colitis, CollagenousD046729EFO:1001293collagenous colitis3ClinicalTrials
Hepatitis, AutoimmuneD019693EFO:0005676Autoimmune Hepatitis2ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
ProctitisD011349EFO:0005628proctitis3ClinicalTrials
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials

Clinical Data

ClinicalTrials.gov BUDESONIDE
The Cochrane Collaboration BUDESONIDE

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 CHEMBL1370. 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
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.998
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.983
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.981
CHEMBL3056 Androgen Receptor Mus musculus 0.934
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.833
CHEMBL3415 Thymidine kinase Human herpesvirus 2 0.545
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.451
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.321



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit 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
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.999
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.998
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.990
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.987
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.944
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.861
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.787
CHEMBL1871 Androgen Receptor Homo sapiens 0.697
CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit Sus scrofa 0.648
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 0.604
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.589
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.581

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
430.5 430.2355 2.72 4 93.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 - 3.2 3.2 0 31 0.71

Structural Alerts

There are 6 structural alerts for CHEMBL1370. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BA - Glucocorticoids
R03BA02 - budesonide

A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07E - INTESTINAL ANTIINFLAMMATORY AGENTS
A07EA - Corticosteroids acting locally
A07EA06 - budesonide

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AC - Corticosteroids, potent (group III)
D07AC09 - budesonide

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AD - Corticosteroids
R01AD05 - budesonide

ChemSpider ChemSpider:VOVIALXJUBGFJZ-KWVAZRHASA-N
DailyMed budesonide
PubChem SID: 56422168 SID: 855541 SID: 90341081
Wikipedia Budesonide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1370



BindingDB 50354850
Brenda 52466
ChEBI 3207
ChemicalBook CB0313122
DrugBank DB01222
DrugCentral 419
eMolecules 535388 29541533
EPA CompTox Dashboard DTXSID8020202
Guide to Pharmacology 7434
Human Metabolome Database HMDB0015353
LINCS LSM-1472
MolPort MolPort-002-529-265
NIH Clinical Collection SAM002699898
Nikkaji J11.656D
PubChem 5281004
PubChem: Drugs of the Future 12013315
PubChem: Thomson Pharma 14929955 14807548
SureChEMBL SCHEMBL4096

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