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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
ChEBI 16032
eMolecules 477822
EPA CompTox Dashboard DTXSID3036525
FDA SRS C24W7J5D5R
IBM Patent System A0F69578B713341890FE6EA96F445775 FAF9E690EADAFA900A509CE8AECC3220
KEGG Ligand C00523
LipidMaps LMST02020001
MolPort MolPort-003-891-847
Nikkaji J4.145I
PDBe AOI
PubChem 5879
PubChem: Thomson Pharma 14775715 14873373
Recon andrstrn
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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