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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200592
CHEMBL1200592
Compound Name DESOXYCORTICOSTERONE PIVALATE
ChEMBL Synonyms DESOXYCORTICOSTERONE PIVALATE | DESOXYCORTICOSTERONE TRIMETHYLACETATE | PERCORTEN
Max Phase 4 (Approved)
Trade Names PERCORTEN
Molecular Formula C26H38O4

Additional synonyms for CHEMBL1200592 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4( ...
Download SMILES
Standard InChI InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7 ...
Download InChI
Standard InChI Key VVOIQBFMTVCINR-WWMZEODYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200592

Molecule Features

CHEMBL1200592 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov DESOXYCORTICOSTERONE PIVALATE
The Cochrane Collaboration DESOXYCORTICOSTERONE PIVALATE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200592. 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
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 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
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.984
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.983
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.982
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.940
CHEMBL2524 Alpha-galactosidase A Homo sapiens 0.252



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.999
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.999
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.996
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.993
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.980
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.963
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.956

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
414.6 414.277 5.29 3 60.44 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.85 4.85 0 30 0.59

Structural Alerts

There are 6 structural alerts for CHEMBL1200592. To view alerts please click here.

Compound Cross References

ATC H - SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 - CORTICOSTEROIDS FOR SYSTEMIC USE
H02A - CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AA - Mineralocorticoids
H02AA03 - desoxycortone

ChemSpider ChemSpider:VVOIQBFMTVCINR-WWMZEODYSA-N
PubChem SID: 144205152

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200592



ACToR 808-48-0
ChEBI 50782
DrugBank DB01134
DrugCentral 822
eMolecules 25689309
EPA CompTox Dashboard DTXSID8046036
FDA SRS 16665T4A2X
Mcule MCULE-8140512979
MolPort MolPort-002-527-902
Nikkaji J7.102A
PubChem 11876263
SureChEMBL SCHEMBL120007
ZINC ZINC000004082455

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