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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL316048
CHEMBL316048
Compound Name ANDROSTANEDIOL
ChEMBL Synonyms androstanediol
Max Phase 0
Trade Names
Molecular Formula C19H32O2

Additional synonyms for CHEMBL316048 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[ ...
Download SMILES
Standard InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key CBMYJHIOYJEBSB-YSZCXEEOSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL316048

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
292.5 292.2402 3.49 0 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.59 1.7 1.7 0 21 0.72

Structural Alerts

There are no structural alerts for CHEMBL316048

Compound Cross References

ChemSpider ChemSpider:CBMYJHIOYJEBSB-YSZCXEEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL316048



ACToR 571-20-0
ChEBI 18329
DrugBank DB03882
eMolecules 3717813
EPA CompTox Dashboard DTXSID8022379
FDA SRS 6J0K4253QD
Human Metabolome Database HMDB00493
IBM Patent System 948034083D8E4599E351A5680019AD43
KEGG Ligand C12525
LipidMaps LMST02020053
Nikkaji J58.219K
PDBe AOM
PubChem 242332
PubChem: Thomson Pharma 14771603 14849239
SureChEMBL SCHEMBL867704
ZINC ZINC03814412

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