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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1683
CHEMBL1683
Compound Name HYDROCORTISONE BUTYRATE
ChEMBL Synonyms HYDROCORTISONE BUTYRATE | LOCOID LIPOCREAM | LOCOID
Max Phase 4 (Approved)
Trade Names Hydrocortisone butyrate | LOCOID LIPOCREAM | LOCOID
Molecular Formula C25H36O6

Additional synonyms for CHEMBL1683 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C ...
Download SMILES
Standard InChI InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17- ...
Download InChI
Standard InChI Key BMCQMVFGOVHVNG-TUFAYURCSA-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


CHEMBL1683

Molecule Features

CHEMBL1683 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:Prescription-only

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov HYDROCORTISONE BUTYRATE
The Cochrane Collaboration HYDROCORTISONE BUTYRATE

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 CHEMBL1683. 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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.995
CHEMBL1871 Androgen Receptor Homo sapiens 0.994
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.960
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.912



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 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
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3318 Tyrosinase Agaricus bisporus 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL1871 Androgen Receptor Homo sapiens 0.997

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
432.6 432.2512 2.79 6 100.9 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
12.98 - 3.36 3.36 0 31 0.63

Structural Alerts

There are 5 structural alerts for CHEMBL1683. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AB - Corticosteroids, moderately potent (group II)
D07AB02 - hydrocortisone butyrate

ChemSpider ChemSpider:BMCQMVFGOVHVNG-TUFAYURCSA-N
DailyMed hydrocortisone butyrate
PubChem SID: 11533027 SID: 144204950 SID: 170465456 SID: 56422894
Wikipedia Hydrocortisone_17-butyrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1683



ACToR 13609-67-1
ChEBI 31674
DrugCentral 3959
eMolecules 539227
EPA CompTox Dashboard DTXSID4045896
FDA SRS 05RMF7YPWN
IBM Patent System 08A640B93378511E9A7FC923515D9AA6
Nikkaji J8.130B
PubChem 26133
PubChem: Thomson Pharma 14958244
SureChEMBL SCHEMBL4695
ZINC ZINC000003977794

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