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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL386630
CHEMBL386630
Compound Name TESTOSTERONE
ChEMBL Synonyms STRIANT SR | ANDROPATCH | TOSTRAN | TESTOPATCH | TESTODERM TTS | ANDRODERM | VOGELXO | AXIRON | Delatestryl | TESTOSTERONE | Testim 1% | TESTORAL | INTRINSA | TESTIM | TESTOPEL | NATESTO | TESTOGEL | ANDROGEL | Androgel 1% | TESTODERM | STRIANT | FORTESTA
Max Phase 4 (Approved)
Trade Names ANDROPATCH | STRIANT SR | TESTODERM TTS | VOGELXO | TESTOPATCH | TOSTRAN | ANDROGEL | Androgel 1% | FORTESTA | STRIANT | TESTODERM | NATESTO | TESTOGEL | INTRINSA | TESTIM | TESTOPEL | TESTORAL | TESTOSTERONE | Testim 1% | ANDRODERM | AXIRON
Molecular Formula C19H28O2

Additional synonyms for CHEMBL386630 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Standard InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key MUMGGOZAMZWBJJ-DYKIIFRCSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL386630

Molecule Features

CHEMBL386630 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:Y 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
Anorexia NervosaD000856EFO:0004215anorexia nervosa2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma0ClinicalTrials
Erectile DysfunctionD007172EFO:0004234erectile dysfunction2ClinicalTrials
Heart FailureD006333EFO:0003144heart failure2ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis2ClinicalTrials
Muscular DiseasesD009135EFO:0002970muscular disease2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
Penile IndurationD010411HP:0003549Abnormality of connective tissue1ClinicalTrials
Sexual Dysfunction, PhysiologicalD012735EFO:0004714sexual dysfunction3ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
Insulin ResistanceD007333EFO:0002614insulin resistance0ClinicalTrials
Testicular NeoplasmsD013736EFO:0005088testicular carcinoma2ClinicalTrials
DwarfismD004392HP:0001510growth delay2ClinicalTrials
Hereditary Breast and Ovarian Cancer SyndromeD061325Orphanet:145Hereditary breast and ovarian cancer syndrome2ClinicalTrials
Klinefelter SyndromeD007713EFO:1001006Klinefelter's syndrome4DailyMed
DailyMed
DailyMed
ObesityD009765EFO:0001073obesity2ClinicalTrials
OrchitisD009920EFO:1001078orchitis4DailyMed
DailyMed
DailyMed
EunuchismD005058EFO:0007266eunuchism3ClinicalTrials
HypogonadismD0070064ClinicalTrials
ClinicalTrials
DailyMed
DailyMed
DailyMed
Polycystic Ovary SyndromeD011085EFO:0000660polycystic ovary syndrome0ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
InfertilityD007246EFO:0000545infertility3ClinicalTrials
SarcopeniaD055948EFO:1000653sarcopenia2ClinicalTrials
Acquired Immunodeficiency SyndromeD000163EFO:0000765AIDS2ClinicalTrials
AgingD000375GO:0007568aging1ClinicalTrials
MenopauseD008593EFO:0003922menopause2ClinicalTrials
Metabolic SyndromeD024821EFO:0000195metabolic syndrome3ClinicalTrials
Spinal Cord InjuriesD013119EFO:1001919Spinal cord injury2ClinicalTrials

Clinical Data

ClinicalTrials.gov TESTOSTERONE
The Cochrane Collaboration TESTOSTERONE

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 CHEMBL386630. 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 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
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 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
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 0.999
CHEMBL208 Progesterone receptor Homo sapiens 0.968
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.963



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 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
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL5409 G-protein coupled bile acid receptor 1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.4 288.2089 3.88 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
- - 3.18 3.18 0 21 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL386630. 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:MUMGGOZAMZWBJJ-DYKIIFRCSA-N
DailyMed testosterone
PubChem SID: 144207887 SID: 17389513 SID: 50085980 SID: 56462804
Wikipedia Testosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL386630



Atlas testosterone
BindingDB 8885
Brenda 15547 135765 123732 284 42993 104350 86874 124288
ChEBI 17347
ChemicalBook CB5380541
DrugBank DB14093 DB00624
DrugCentral 2607
eMolecules 511977
EPA CompTox Dashboard DTXSID8022371
FDA SRS 3XMK78S47O
Guide to Pharmacology 2858
IBM Patent System D23EA79767AD714CE12DBBBD00F863C8
KEGG Ligand C00535
LipidMaps LMST02020002
Mcule MCULE-1294118086
Metabolights MTBLC17347
NIH Clinical Collection SAM001246921
Nikkaji J4.590J
PDBe TES
PharmGKB PA451627
PubChem 6013
PubChem: Drugs of the Future 12012605
PubChem: Thomson Pharma 14873306 14849069
Recon tststerone
Rhea 17347
SureChEMBL SCHEMBL8452
ZINC ZINC000118912393

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