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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908006
CHEMBL1908006
Compound Name OXYMESTERONE
ChEMBL Synonyms Oxymesterone
Max Phase 0
Trade Names
Molecular Formula C20H30O3

Additional synonyms for CHEMBL1908006 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(O)C(=O)CC[C@]4(C)[C@H]3CC[C@] ...
Download SMILES
Standard InChI InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6 ...
Download InChI
Standard InChI Key RXXBBHGCAXVBES-XMUHMHRVSA-N

Molecule Features

CHEMBL1908006 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 3 structural alerts for CHEMBL1908006. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1908006

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 CHEMBL1908006. 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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.997
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.996
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.995
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.995
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.987
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.964
CHEMBL242 Estrogen receptor beta Homo sapiens 0.879



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 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
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL3318 Tyrosinase Agaricus bisporus 0.999
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.999
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.999
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.997
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.995

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.5 318.2195 3.14 0 57.53 NEUTRAL


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
9.32 - 2.63 2.62 0 23 0.72

Compound Cross References

ChemSpider ChemSpider:RXXBBHGCAXVBES-XMUHMHRVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908006



ACToR 145-12-0
eMolecules 36759161
FDA SRS 4R73K9MRMX
Human Metabolome Database HMDB06027
KEGG Ligand C14665
Nikkaji J5.832G
PubChem 72061
PubChem: Thomson Pharma 16183645
SureChEMBL SCHEMBL141603
ZINC ZINC04217232

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