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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274826
CHEMBL274826
Compound Name ANDROSTENEDIONE
ChEMBL Synonyms Androstenedione
Max Phase 0
Trade Names
Molecular Formula C19H26O2

Additional synonyms for CHEMBL274826 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]1CCC2=O
Standard InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key AEMFNILZOJDQLW-QAGGRKNESA-N

Molecule Features

CHEMBL274826 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL274826. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL274826

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 CHEMBL274826. 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
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 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
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 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
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.999
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.998
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.996
CHEMBL3056 Androgen Receptor Mus musculus 0.985
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.551
CHEMBL208 Progesterone receptor Homo sapiens 0.250



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.977
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.977
CHEMBL3318 Tyrosinase Agaricus bisporus 0.962

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
286.4 286.1933 3.57 0 34.14 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.76 3.67 1.38 0 21 0.68

Compound Cross References

ChemSpider ChemSpider:AEMFNILZOJDQLW-QAGGRKNESA-N
PubChem SID: 144204444 SID: 144209467 SID: 144210896 SID: 170465907 SID: 17389251 SID: 17389252 SID: 26751578 SID: 29215020 SID: 50104208 SID: 85148334 SID: 855972
Wikipedia Androstenedione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274826



ACToR 63-05-8 104534-78-3
BindingDB 91713
ChEBI 16422
DrugBank DB01536
eMolecules 477820
FDA SRS 409J2J96VR
Guide to Pharmacology 2860
Human Metabolome Database HMDB00053
IBM Patent System EFF63107E388A44F4A71082681496FD0
KEGG Ligand C00280
LINCS LSM-5464
Mcule MCULE-8902385122
Nikkaji J38.388K
PDBe ASD
PubChem 6128
PubChem: Thomson Pharma 14775551 15962866
Recon andrstndn
SureChEMBL SCHEMBL23272
ZINC ZINC04428526

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