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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571
CHEMBL1571
Compound Name TESTOLACTONE
ChEMBL Synonyms FLUDESTRIN | TESTOLACTONE | TESLAC | SQ 9538
Max Phase 4 (Approved)
Trade Names TESLAC | FLUDESTRIN
Molecular Formula C19H24O3

Additional synonyms for CHEMBL1571 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2
Standard InChI InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10 ...
Download InChI
Standard InChI Key BPEWUONYVDABNZ-DZBHQSCQSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1571

Molecule Features

CHEMBL1571 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cytochrome P450 19A1 inhibitor Cytochrome P450 19A1 FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Puberty, PrecociousD0116292ClinicalTrials

Clinical Data

ClinicalTrials.gov TESTOLACTONE
The Cochrane Collaboration TESTOLACTONE

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 CHEMBL1571. 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
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.998
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.997
CHEMBL3041 Mu opioid receptor Bos taurus 0.973
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.900
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.684
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.681
CHEMBL208 Progesterone receptor Homo sapiens 0.239
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.225



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.999
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.999
CHEMBL3056 Androgen Receptor Mus musculus 0.998
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.993
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.980
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.974
CHEMBL3041 Mu opioid receptor Bos taurus 0.966
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.941

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
300.4 300.1725 3.59 0 43.37 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.23 2.23 0 22 0.64

Structural Alerts

There are 5 structural alerts for CHEMBL1571. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPEWUONYVDABNZ-DZBHQSCQSA-N
PubChem SID: 144205129 SID: 85554
Wikipedia Testolactone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571



ACToR 968-93-4
BindingDB 50367848
Brenda 71487
ChEBI 9460
ChemicalBook CB4371689
DrugBank DB00894
DrugCentral 2606
eMolecules 30151977
EPA CompTox Dashboard DTXSID2023644
FDA SRS 6J9BLA949Q
Guide to Pharmacology 7303
Human Metabolome Database HMDB0015031
IBM Patent System F861FBD68E9B31D53C1F09D71107980C
KEGG Ligand C02197
LipidMaps LMST02020084
Nikkaji J7.201J
PharmGKB PA164743056
PubChem 13769
PubChem: Drugs of the Future 136349969
PubChem: Thomson Pharma 16241793
SureChEMBL SCHEMBL4053
ZINC ZINC000004081771

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