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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1159650
CHEMBL1159650
Compound Name CLOBETASOL PROPIONATE
ChEMBL Synonyms CCI 4725 | CORMAX | CLOBETASOL PROPIONATE (EMOLLIENT) | TEMOVATE | CLOBEX | CCI-4725 | CLOBETASOL | GR 2/925 | OLUX E | EMBELINE | OLUX | EMBELINE E | CLOBETASOL PROPIONATE | TEMOVATE E
Max Phase 4 (Approved)
Trade Names CLOBEX | CLOBETASOL PROPIONATE (EMOLLIENT) | CORMAX | TEMOVATE | EMBELINE | OLUX E | CLOBETASOL PROPIONATE | EMBELINE E | OLUX | TEMOVATE E
Molecular Formula C25H32ClFO5

Additional synonyms for CHEMBL1159650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C) ...
Download SMILES
Standard InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18 ...
Download InChI
Standard InChI Key CBGUOGMQLZIXBE-XGQKBEPLSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • 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


CHEMBL1159650

Molecule Features

CHEMBL1159650 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DERMATITIS, ATOPICD003876EFO:0000274ATOPIC ECZEMA1ClinicalTrials
GRAFT VS HOST DISEASED006086EFO:0004599ACUTE GRAFT VS. HOST DISEASE3ClinicalTrials
PEMPHIGOID, BULLOUSD010391EFO:0007187BULLOUS PEMPHIGOID3ClinicalTrials
LICHEN PLANUSD008010EFO:1000726LICHEN PLANUS2ClinicalTrials
SCLERODERMA, SYSTEMICD012595EFO:0000717SYSTEMIC SCLERODERMA1ClinicalTrials
ALOPECIA AREATAD000506EFO:0004192ALOPECIA AREATA3ClinicalTrials
DERMATITIS, SEBORRHEICD012628EFO:1000764SEBORRHEIC DERMATITIS3ClinicalTrials
PSORIASISD011565EFO:0000676PSORIASIS4ClinicalTrials

Clinical Data

ClinicalTrials.gov CLOBETASOL PROPIONATE
The Cochrane Collaboration CLOBETASOL PROPIONATE

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 CHEMBL1159650. 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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.998
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.996
CHEMBL3056 Androgen Receptor Mus musculus 0.994
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.990
CHEMBL208 Progesterone receptor Homo sapiens 0.959
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.874
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.471
CHEMBL5038 Melanin-concentrating hormone receptor 2 Homo sapiens 0.335
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 0.227
CHEMBL5412 C-C chemokine receptor type 2 Mus musculus 0.208



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.999
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.999
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.932
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.898
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.894
CHEMBL208 Progesterone receptor Homo sapiens 0.836
CHEMBL3056 Androgen Receptor Mus musculus 0.743
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.731
CHEMBL4729 Cytochrome P450 2B6 Homo sapiens 0.612
CHEMBL3203 4-hydroxyphenylpyruvate dioxygenase Sus scrofa 0.588

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
467 466.1922 3.96 5 80.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.88 - 3.14 3.14 0 32 0.49

Structural Alerts

There are 20 structural alerts for CHEMBL1159650. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AD - Corticosteroids, very potent (group IV)
D07AD01 - clobetasol

ChemSpider ChemSpider:CBGUOGMQLZIXBE-XGQKBEPLSA-N
DailyMed clobetasol propionate
PubChem SID: 144204967 SID: 170465385 SID: 56422175 SID: 855884
Wikipedia Clobetasol_propionate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1159650



ACToR 25122-46-7
BindingDB 39347
ChEBI 31414
DrugBank DB01013
DrugCentral 4452
eMolecules 36553102 29534892
EPA CompTox Dashboard DTXSID6045907
FDA SRS 779619577M
Guide to Pharmacology 7062
IBM Patent System 4FB7823206340BC26CD7EC085EDE9589
LINCS LSM-5281
NIH Clinical Collection SAM002564250
Nikkaji J21.005F
PharmGKB PA164744375
PubChem 32798
PubChem: Thomson Pharma 14858433
Selleck clobetasol-propionate
SureChEMBL SCHEMBL3997
ZINC ZINC000003977767

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