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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL386630
CHEMBL386630
Compound Name TESTOSTERONE
ChEMBL Synonyms Testoderm tts | Androgel 1% | ANDROGEL | Striant | ANDRODERM | Testoderm | AXIRON | Delatestryl | TESTOSTERONE | Testim 1% | Fortesta | TESTIM | TESTOPEL
Max Phase 4 (Approved)
Trade Names Testoderm | Striant | Testosterone | ANDROGEL | Androgel 1% | Testoderm tts | Fortesta | TESTIM | TESTOPEL | 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 DailyMed FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DWARFISMD004392HP:0001510GROWTH DELAY2ClinicalTrials
HYPOGONADISMD007006HP:0000026MALE HYPOGONADISM4ClinicalTrials
SEXUAL DYSFUNCTION, PHYSIOLOGICALD012735EFO:0004714SEXUAL DYSFUNCTION3ClinicalTrials
CORONARY ARTERY DISEASED003324EFO:0000378CORONARY ARTERY DISEASE3ClinicalTrials
MUSCULAR DISEASESD009135EFO:0002970MUSCULAR DISEASE2ClinicalTrials
EUNUCHISMD005058EFO:0007266EUNUCHISM3ClinicalTrials
HYPOGONADISMD007006HP:0000135HYPOGONADISM4ClinicalTrials
DailyMed
DailyMed
DailyMed
MULTIPLE SCLEROSISD009103EFO:0003885MULTIPLE SCLEROSIS2ClinicalTrials
AGINGD000375GO:0007568AGING1ClinicalTrials
BREAST NEOPLASMSD001943EFO:0000305BREAST CARCINOMA0ClinicalTrials
KLINEFELTER SYNDROMED007713EFO:1001006KLINEFELTER'S SYNDROME4DailyMed
DailyMed
DailyMed
METABOLIC SYNDROME XD024821EFO:0000195METABOLIC SYNDROME3ClinicalTrials
ORCHITISD009920EFO:1001078ORCHITIS4DailyMed
DailyMed
DailyMed
POLYCYSTIC OVARY SYNDROMED011085EFO:0000660POLYCYSTIC OVARY SYNDROME0ClinicalTrials
HEART FAILURED006333EFO:0003144HEART FAILURE2ClinicalTrials
HYPOGONADISMD007006HP:0000044HYPOGONADOTROPHIC HYPOGONADISM4DailyMed
ClinicalTrials
DailyMed
DailyMed
INFERTILITYD007246EFO:0000545INFERTILITY3ClinicalTrials
MENOPAUSED008593EFO:0003922MENOPAUSE2ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA2ClinicalTrials
OBESITYD009765EFO:0001073OBESITY2ClinicalTrials
ANOREXIA NERVOSAD000856EFO:0004215ANOREXIA NERVOSA2ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER3ClinicalTrials

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
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1978 Cytochrome P450 19A1 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
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase 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
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL208 Progesterone receptor Homo sapiens 0.982



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 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
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 1.000
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha 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 3.47 0 37.29 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 0.74

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 123732 42993 86874 124288 135765 15547 284 104350
ChEBI 17347
DrugBank DB00624
DrugCentral 2607
eMolecules 511977
EPA CompTox Dashboard DTXSID8022371
FDA SRS 3XMK78S47O
Guide to Pharmacology 2858
Human Metabolome Database HMDB0000234
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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