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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107067
CHEMBL2107067
Compound Name TESTOSTERONE UNDECANOATE
ChEMBL Synonyms TESTOSTERONE UNDECANOATE | ANDRIOL | RESTANDOL TESTOCAP | ORG 538 | UNDESTOR | AVEED | RESTANDOL | NEBIDO
Max Phase 4 (Approved)
Trade Names RESTANDOL TESTOCAP | ANDRIOL | NEBIDO | RESTANDOL | AVEED | UNDESTOR
Molecular Formula C30H48O3

Additional synonyms for CHEMBL2107067 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C ...
Download SMILES
Standard InChI InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15- ...
Download InChI
Standard InChI Key UDSFVOAUHKGBEK-CNQKSJKFSA-N

Sources

  • British National Formulary
  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2107067

Molecule Features

CHEMBL2107067 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Sexual Dysfunction, PhysiologicalD012735EFO:0004714sexual dysfunction2ClinicalTrials
Coronary DiseaseD003327EFO:0001645coronary heart disease2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma2ClinicalTrials
EunuchismD005058EFO:0007266eunuchism3ClinicalTrials
HypogonadismD0070063ClinicalTrials
Respiratory InsufficiencyD0121313ClinicalTrials

Clinical Data

ClinicalTrials.gov TESTOSTERONE UNDECANOATE
The Cochrane Collaboration TESTOSTERONE UNDECANOATE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2107067. 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
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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.949
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.946
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.859
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.842
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.750
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.578
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.424



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
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
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.999
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.999
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.998
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.996
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.992

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
456.7 456.3603 7.96 10 43.37 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.73 8.73 0 33 0.25

Structural Alerts

There are 12 structural alerts for CHEMBL2107067. 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
G03BA03 - testosterone

ChemSpider ChemSpider:UDSFVOAUHKGBEK-CNQKSJKFSA-N
DailyMed testosterone undecanoate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107067



ACToR 5949-44-0
ChEBI 135741
ChemicalBook CB3123991
DrugBank DB13946
DrugCentral 2608
eMolecules 10227273
FDA SRS H16A5VCT9C
IBM Patent System 9AF9903FFEBEE42307C313AC6C12D5EA
MolPort MolPort-003-850-422
Nikkaji J61.334G
PubChem 65157
PubChem: Thomson Pharma 14906816 14906817
SureChEMBL SCHEMBL147620
ZINC ZINC000008214690

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