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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1766
CHEMBL1766
Compound Name DESOXIMETASONE
ChEMBL Synonyms DESOXIMETASONE | TOPICORT | STIEDEX LPN | STIEDEX LP | R 2113 | STIEDEX | A-41-304 | TOPICORT LP | HOE 304
Max Phase 4 (Approved)
Trade Names DESOXIMETASONE | TOPICORT | STIEDEX LP | STIEDEX LPN | STIEDEX | TOPICORT LP
Molecular Formula C22H29FO4

Additional synonyms for CHEMBL1766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H]( ...
Download SMILES
Standard InChI InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3) ...
Download InChI
Standard InChI Key VWVSBHGCDBMOOT-IIEHVVJPSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1766

Molecule Features

CHEMBL1766 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:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PsoriasisD011565EFO:0000676psoriasis3ClinicalTrials

Clinical Data

ClinicalTrials.gov DESOXIMETASONE
The Cochrane Collaboration DESOXIMETASONE

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 CHEMBL1766. 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
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
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.997
CHEMBL3056 Androgen Receptor Mus musculus 0.799
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.698
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.589
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.413
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.324



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.997
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.997
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.995
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 0.966
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.904
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.812
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.779
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.614
CHEMBL1871 Androgen Receptor Homo sapiens 0.613
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.583
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.436

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
376.5 376.205 2.78 2 74.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.98 - 2.22 2.22 0 27 0.78

Structural Alerts

There are 5 structural alerts for CHEMBL1766. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AC - Corticosteroids, potent (group III)
D07AC03 - desoximetasone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07X - CORTICOSTEROIDS, OTHER COMBINATIONS
D07XC - Corticosteroids, potent, other combinations
D07XC02 - desoximetasone

ChemSpider ChemSpider:VWVSBHGCDBMOOT-IIEHVVJPSA-N
DailyMed desoximetasone
PubChem SID: 144204440 SID: 170464795 SID: 29215017 SID: 56423147 SID: 855924
Wikipedia Desoximetasone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1766



ACToR 382-67-2
BindingDB 50103622
ChEBI 691037
ChemicalBook CB0346960
DrugBank DB00547
DrugCentral 819
eMolecules 36554167
EPA CompTox Dashboard DTXSID3045647
FDA SRS 4E07GXB7AU
Guide to Pharmacology 7067
Human Metabolome Database HMDB0014687
IBM Patent System 2C59D4065EC44F2D5233B2FA32013C34
LINCS LSM-5448
MolPort MolPort-003-941-111
NIH Clinical Collection SAM001246885
Nikkaji J83.644C
PharmGKB PA164746011
PubChem 5311067
PubChem: Thomson Pharma 15498318
SureChEMBL SCHEMBL4214
ZINC ZINC000004212854

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