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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1395
CHEMBL1395
Compound Name METHYLTESTOSTERONE
ChEMBL Synonyms METHYLTESTOSTERONE | ANDROID 5 | POTENSAN FTE | PERANDREN | ORETON | METANDREN | ORETON METHYL | Methitest | PLEX HORMONE | ANDROID 10 | ANDROID 25 | VIRILON | TESTRED | TESTOVIS
Max Phase 4 (Approved)
Trade Names ANDROID 5 | METHYLTESTOSTERONE | POTENSAN FTE | ORETON | PERANDREN | METANDREN | Methitest | ORETON METHYL | ANDROID 10 | PLEX HORMONE | ANDROID 25 | TESTOVIS | TESTRED | VIRILON
Molecular Formula C20H30O2

Additional synonyms for CHEMBL1395 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Standard InChI InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10 ...
Download InChI
Standard InChI Key GCKMFJBGXUYNAG-HLXURNFRSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • 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


CHEMBL1395

Molecule Features

CHEMBL1395 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:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MenopauseD008593EFO:0003922menopause2ClinicalTrials

Clinical Data

ClinicalTrials.gov METHYLTESTOSTERONE
The Cochrane Collaboration METHYLTESTOSTERONE

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 CHEMBL1395. 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.997
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.997
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.950



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
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
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 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
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.998
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.997

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
302.5 302.2246 4.27 0 37.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.56 3.56 0 22 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL1395. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03B - ANDROGENS
G03BA - 3-oxoandrosten (4) derivatives
G03BA02 - methyltestosterone

G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03E - ANDROGENS AND FEMALE SEX HORMONES IN COMBINATION
G03EK - Androgens and female sex hormones in combination with other drugs
G03EK01 - methyltestosterone

ChemSpider ChemSpider:GCKMFJBGXUYNAG-HLXURNFRSA-N
DailyMed methyltestosterone
PubChem SID: 144206712 SID: 144206713 SID: 144214019 SID: 170464631 SID: 17388912 SID: 26719668 SID: 56463771
Wikipedia Methyltestosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1395



ACToR 1300-17-0
Atlas methyltestosterone
BindingDB 50410531
Brenda 29309 55876
ChEBI 27436
ChemicalBook CB4213510
DrugBank DB06710
DrugCentral 3356
eMolecules 29533708 30513091
EPA CompTox Dashboard DTXSID1033664
FDA SRS V9EFU16ZIF
Guide to Pharmacology 6945
Human Metabolome Database HMDB0015655
IBM Patent System C03A92D6718A8877171B096E550B97F4
KEGG Ligand C07198
LINCS LSM-5902
LipidMaps LMST02020029
Mcule MCULE-5274452426
NIH Clinical Collection SAM001246682
Nikkaji J1.385D
PubChem 6010
PubChem: Thomson Pharma 14800583 14776222
SureChEMBL SCHEMBL18657
ZINC ZINC000003814422

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