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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL87285
CHEMBL87285
Compound Name ANDROSTERONE
ChEMBL Synonyms Androsterone
Max Phase 0
Trade Names
Molecular Formula C19H30O2

Additional synonyms for CHEMBL87285 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C ...
Download SMILES
Standard InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key QGXBDMJGAMFCBF-HLUDHZFRSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL87285

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
290.4 290.2246 3.59 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
- - 3.93 3.93 0 21 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL87285. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGXBDMJGAMFCBF-HLUDHZFRSA-N
PubChem SID: 251919731 SID: 26755324 SID: 85148326
Wikipedia Androsterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL87285



ACToR 53-41-8
BindingDB 17639
Brenda 16628 477 24529 6235 4481
ChEBI 16032
eMolecules 477822
EPA CompTox Dashboard DTXSID3036525
FDA SRS C24W7J5D5R
IBM Patent System A0F69578B713341890FE6EA96F445775 FAF9E690EADAFA900A509CE8AECC3220
KEGG Ligand C00523
LipidMaps LMST02020001
Metabolights MTBLC16032
MolPort MolPort-003-891-847
Nikkaji J4.145I
PDBe AOI
PubChem 5879
PubChem: Thomson Pharma 14775715 14873373
Recon andrstrn
Rhea 16032
SureChEMBL SCHEMBL269981
ZINC ZINC000003861550

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