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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL79686
CHEMBL79686
Compound Name TEPRENONE
ChEMBL Synonyms Teprenone
Max Phase 0
Trade Names
Molecular Formula C23H38O

Additional synonyms for CHEMBL79686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CCC(=O)C)\C)\C)\C)C
Standard InChI InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-2 ...
Download InChI
Standard InChI Key HUCXKZBETONXFO-NJFMWZAGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL79686

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
330.6 330.2923 7.5 12 17.07 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 1 1 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.61 7.61 0 24 0.34

Structural Alerts

There are 4 structural alerts for CHEMBL79686. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HUCXKZBETONXFO-NJFMWZAGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL79686



ACToR 3796-63-2
FDA SRS 57B67OXM8F
KEGG Ligand C13297
MolPort MolPort-020-172-353
Nikkaji J24.196B J22.189I
PubChem 5282199
PubChem: Drugs of the Future 12013741
PubChem: Thomson Pharma 14851025
SureChEMBL SCHEMBL157509
ZINC ZINC000001915509

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