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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200877
CHEMBL1200877
Compound Name FLUMETHASONE PIVALATE
ChEMBL Synonyms FLUMETASONE PIVALATE | LOCORTEN-VIOFORM | LOCORTEN | FLUMETHASONE PIVALATE
Max Phase 4 (Approved)
Trade Names LOCORTEN | LOCORTEN-VIOFORM
Molecular Formula C27H36F2O6

Additional synonyms for CHEMBL1200877 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F) ...
Download SMILES
Standard InChI InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-2 ...
Download InChI
Standard InChI Key JWRMHDSINXPDHB-OJAGFMMFSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200877

Molecule Features

CHEMBL1200877 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov FLUMETHASONE PIVALATE
The Cochrane Collaboration FLUMETHASONE PIVALATE

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 CHEMBL1200877. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.871
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.811
CHEMBL3056 Androgen Receptor Mus musculus 0.564
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 0.369



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor 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
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.992
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 0.992
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.991
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.644
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.633
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.615
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.258

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
494.6 494.248 3.44 3 100.9 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
11.86 - 3.73 3.73 0 35 0.58

Structural Alerts

There are 9 structural alerts for CHEMBL1200877. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07X - CORTICOSTEROIDS, OTHER COMBINATIONS
D07XB - Corticosteroids, moderately potent, other combinations
D07XB01 - flumetasone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AB - Corticosteroids, moderately potent (group II)
D07AB03 - flumetasone

ChemSpider ChemSpider:JWRMHDSINXPDHB-OJAGFMMFSA-N
PubChem SID: 56423133 SID: 855730

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200877



ChEBI 31620
DrugCentral 1198
eMolecules 538235
FDA SRS 0DV09X6F21
Guide to Pharmacology 7075
Human Metabolome Database HMDB0014801
IBM Patent System 3CF84011EF4283DAD16DE4388E16DA42
MolPort MolPort-002-885-878
Nikkaji J7.845J
PharmGKB PA164749388
PubChem 443980
PubChem: Thomson Pharma 15455637
SureChEMBL SCHEMBL6968
ZINC ZINC000003977985

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