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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200585
CHEMBL1200585
Compound Name OXYMETHOLONE
ChEMBL Synonyms OXYMETHOLONE | HMD | ANAPOLON 50 | ANADROL-50 | CI-406 | OXIMETHOLONE | ANADROL
Max Phase 4 (Approved)
Trade Names ANADROL-50 | ANADROL | ANAPOLON 50
Molecular Formula C21H32O3

Additional synonyms for CHEMBL1200585 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)\C(=C/O)\C[C@]4(C)[C@H ...
Download SMILES
Standard InChI InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16 ...
Download InChI
Standard InChI Key ICMWWNHDUZJFDW-DHODBPELSA-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


CHEMBL1200585

Molecule Features

CHEMBL1200585 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Androgen Receptor agonist Androgen Receptor DailyMed

Clinical Data

ClinicalTrials.gov OXYMETHOLONE
The Cochrane Collaboration OXYMETHOLONE

Metabolites for CHEMBL1200585

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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 CHEMBL1200585. 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
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.999
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.999
CHEMBL1871 Androgen Receptor Homo sapiens 0.998
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.997
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.994
CHEMBL3041 Mu opioid receptor Bos taurus 0.965
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.945
CHEMBL3150 Vitamin D receptor Rattus norvegicus 0.921
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.879
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.713
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.571



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 0.999
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.998
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.995
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.992
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.982
CHEMBL3041 Mu opioid receptor Bos taurus 0.981

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
332.5 332.2351 4.4 0 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 2.63 -.17 0 24 0.51

Structural Alerts

There are 4 structural alerts for CHEMBL1200585. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A14 - ANABOLIC AGENTS FOR SYSTEMIC USE
A14A - ANABOLIC STEROIDS
A14AA - Androstan derivatives
A14AA05 - oxymetholone

ChemSpider ChemSpider:ICMWWNHDUZJFDW-DHODBPELSA-N
DailyMed oxymetholone
PubChem SID: 144204682 SID: 144207269 SID: 170465403 SID: 17388810
Wikipedia Oxymetholone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200585



ACToR 434-07-1
DrugBank DB06412
DrugCentral 2033
EPA CompTox Dashboard DTXSID5023794
FDA SRS L76T0ZCA8K
KEGG Ligand C07393
MolPort MolPort-003-959-059
Nikkaji J2.043E
PubChem 5281034
SureChEMBL SCHEMBL145158
ZINC ZINC000118912450

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