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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL272195
CHEMBL272195
Compound Name EPIANDROSTERONE
ChEMBL Synonyms Epiandrosterone | Epi-Andosterone
Max Phase 0
Trade Names
Molecular Formula C19H30O2

Additional synonyms for CHEMBL272195 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]3CC ...
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-LUJOEAJASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL272195

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 CHEMBL272195. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGXBDMJGAMFCBF-LUJOEAJASA-N
PubChem SID: 26754424 SID: 50085999
Wikipedia Epiandrosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL272195



BindingDB 50236240
Brenda 48652 91588 4812 19992 103879 11108
ChEBI 541975
eMolecules 477830
FDA SRS 8TR252Z538
IBM Patent System CDBB34ED7547BA7D7883B16AD7F58E0C
KEGG Ligand C07635
LipidMaps LMST02020023
Metabolights MTBLC541975
MolPort MolPort-002-506-907
Nikkaji J9.233I
PDBe AOX
PubChem 441302
PubChem: Thomson Pharma 14942711
Rhea 541975
Selleck epiandrosterone-3beta-androsterone
SureChEMBL SCHEMBL295167
ZINC ZINC000003861661

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