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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200500
CHEMBL1200500
Compound Name BECLOMETHASONE DIPROPIONATE
ChEMBL Synonyms BECONASE AQ | BECLOTAIDE | BECLOFORTE INTEGRA | BECLOFORTE | VANCERIL DOUBLE STRENGTH | PULVINAL BECLOMET | NASOBEC HAYFEVER | BECOTIDE 100 E-BREATHE | BECOTIDE 100 | BECLOMETASONE | BECLOAQUA 50 | BECLAZONE 200 | ASMABEC SPACEHALER | PROPADERM-A | CLENIL MODULITE | BECOTIDE 50 E-BREATHE | BECLOMETHASONE | BECLOMET DIPROP | BECLOFORTE-VM | ZONIVENT AQUANASAL | VANCENASE AQ | RINO CLENIL | NASOBEC AQ | BECOTIDE 200 | BECOTIDE | BECLOVENT | BECLAZONE 50 E-BREATHE | ASMABEC CLICKHALER | AEROBEC FTE 250 | AEROBEC 50 | VANCENASE | FOSTAIR NEXTHALER | FILAIR 50 | BECONASE | BECLOMIST | BECLAZONE 50 | VENTIDE | QVAR REDIHALER | QVAR 50 E-BREATHE | QVAR 100 | QNASL | VIVABEC | QVAR 100 E-BREATHE | PROPADERM FTE | FOSTAIR | FILAIR FTE | FILAIR 100 | CLIPPER | BECLOMETHASONE DIPROPIONATE MONOHYDRATE | BECLOMETHASONE DIPROPIONATE | BECLOMETASONE DIPROPIONATE | BECLOMET HAYFEVER | BECLOFORTE E-BREATHE | BECLAZONE 100 | QVAR 80 | QVAR 50 | QVAR 40 | PROPADERM-C | PROPADERM | BECOTIDE 50 | BECODISKS | BECLAZONE 250 E-BREATHE | BECLAZONE 100 E-BREATHE | AEROBEC 100 | VANCERIL | BECLAZONE 250 | VANCENASE POCKETHALER | SCH 18020W
Max Phase 4 (Approved)
Trade Names BECLAZONE 100 | BECLOFORTE E-BREATHE | BECLOMET HAYFEVER | CLIPPER | FILAIR 100 | FILAIR FTE | FOSTAIR | PROPADERM FTE | QVAR 100 E-BREATHE | VIVABEC | AEROBEC 100 | BECLAZONE 100 E-BREATHE | BECLAZONE 250 E-BREATHE | BECODISKS | BECOTIDE 50 | PROPADERM | PROPADERM-C | QVAR 40 | QVAR 50 | QVAR 80 | BECLAZONE 250 | VANCERIL | BECLOFORTE-VM | BECLOMET DIPROP | BECOTIDE 50 E-BREATHE | CLENIL MODULITE | PROPADERM-A | VANCENASE POCKETHALER | BECLAZONE 50 E-BREATHE | BECLOVENT | BECOTIDE | BECOTIDE 200 | NASOBEC AQ | RINO CLENIL | VANCENASE AQ | ZONIVENT AQUANASAL | AEROBEC 50 | AEROBEC FTE 250 | ASMABEC CLICKHALER | BECLAZONE 50 | BECLOMIST | BECONASE | FILAIR 50 | FOSTAIR NEXTHALER | VANCENASE | BECLOFORTE | BECLOFORTE INTEGRA | BECLOTAIDE | BECONASE AQ | QNASL | QVAR 100 | QVAR 50 E-BREATHE | QVAR REDIHALER | VENTIDE | ASMABEC SPACEHALER | BECLAZONE 200 | BECLOAQUA 50 | BECOTIDE 100 | BECOTIDE 100 E-BREATHE | NASOBEC HAYFEVER | PULVINAL BECLOMET | VANCERIL DOUBLE STRENGTH
Molecular Formula C28H37ClO7

Additional synonyms for CHEMBL1200500 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC ...
Download SMILES
Standard InChI InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)1 ...
Download InChI
Standard InChI Key KUVIULQEHSCUHY-XYWKZLDCSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1200500

Molecule Features

CHEMBL1200500 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor agonist Glucocorticoid receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AsthmaD001249EFO:0000270asthma4ClinicalTrials
DailyMed
DailyMed
DailyMed
FDA
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease3ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0005854allergic rhinitis4ClinicalTrials
DailyMed
DailyMed
DailyMed
Bronchopulmonary DysplasiaD001997Orphanet:70589Bronchopulmonary dysplasia2ClinicalTrials
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
Rhinitis, Allergic, PerennialD012221EFO:1001417Rhinitis, Allergic, Perennial3ClinicalTrials
Idiopathic Pulmonary FibrosisD054990EFO:0000768idiopathic pulmonary fibrosis2ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0003956seasonal allergic rhinitis4ClinicalTrials
Eosinophilic EsophagitisD057765EFO:0004232eosinophilic esophagitis1ClinicalTrials
FolliculitisD005499EFO:1000702folliculitis2ClinicalTrials
InfectionD007239EFO:0000544infection1ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials
CroupD003440EFO:0007227croup3ClinicalTrials
Nasal PolypsD009298EFO:1000391Nasal Cavity Polyp2ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov BECLOMETHASONE DIPROPIONATE
The Cochrane Collaboration BECLOMETHASONE DIPROPIONATE

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 CHEMBL1200500. 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
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
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.999
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.990
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.988
CHEMBL3056 Androgen Receptor Mus musculus 0.965
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.861
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.850
CHEMBL4349 N-acylsphingosine-amidohydrolase Homo sapiens 0.837
CHEMBL5038 Melanin-concentrating hormone receptor 2 Homo sapiens 0.588
CHEMBL2034805 N-acylethanolamine-hydrolyzing acid amidase Rattus norvegicus 0.581
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.553
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.485



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 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
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.993
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.987
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.968
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.920
CHEMBL4729 Cytochrome P450 2B6 Homo sapiens 0.906
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.688
CHEMBL4573 Metabotropic glutamate receptor 6 Homo sapiens 0.505
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.439
CHEMBL3056 Androgen Receptor Mus musculus 0.374
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.322

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
521.1 520.2228 4.09 6 106.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 7 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.02 - 4.07 4.07 0 36 0.41

Structural Alerts

There are 12 structural alerts for CHEMBL1200500. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AC - Corticosteroids, potent (group III)
D07AC15 - beclometasone

A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07E - INTESTINAL ANTIINFLAMMATORY AGENTS
A07EA - Corticosteroids acting locally
A07EA07 - beclometasone

R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BA - Glucocorticoids
R03BA01 - beclometasone

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AD - Corticosteroids
R01AD01 - beclometasone

ChemSpider ChemSpider:KUVIULQEHSCUHY-XYWKZLDCSA-N
DailyMed beclomethasone dipropionate beclomethasone dipropionate monohydrate
PubChem SID: 144206719 SID: 56463541
Wikipedia Beclometasone_dipropionate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200500



ACToR 34135-07-4 5534-09-8
ChEBI 3002
ChemicalBook CB4376831
DrugBank DB00394
DrugCentral 294
eMolecules 29534884
EPA CompTox Dashboard DTXSID3048730
FDA SRS 5B307S63B2
Guide to Pharmacology 5894
Human Metabolome Database HMDB0014538
KEGG Ligand C07813
LINCS LSM-4209
MolPort MolPort-003-983-412
NIH Clinical Collection SAM002699895
Nikkaji J7.992H
PubChem 21700
PubChem: Thomson Pharma 14885124 14836381
Selleck beclomethasone-dipropionate
SureChEMBL SCHEMBL6890
ZINC ZINC000003938744

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