ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL454801
CHEMBL454801
Compound Name UBIDECARENONE
ChEMBL Synonyms Ubidecarenone
Max Phase 0
Trade Names
Molecular Formula C59H90O4

Additional synonyms for CHEMBL454801 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\C ...
Download SMILES
Standard InChI InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17- ...
Download InChI
Standard InChI Key ACTIUHUUMQJHFO-UPTCCGCDSA-N

Molecule Features

CHEMBL454801 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 10 structural alerts for CHEMBL454801. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL454801

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
863.3 862.6839 18.77 31 52.6 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 19.12 19.12 0 63 0.05

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01E - OTHER CARDIAC PREPARATIONS
C01EB - Other cardiac preparations
C01EB09 - ubidecarenone

ChemSpider ChemSpider:ACTIUHUUMQJHFO-UPTCCGCDSA-N
PubChem SID: 144205213 SID: 29215368
Wikipedia Coenzyme_Q10

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL454801



ACToR 13448-14-1
ChEBI 46245
eMolecules 493932
FDA SRS EJ27X76M46
Human Metabolome Database HMDB01072
KEGG Ligand C11378
MolPort MolPort-016-633-346
Nikkaji J11.405G J24.300K
PDBe U10
PubChem 5281915
PubChem: Drugs of the Future 24714735
PubChem: Thomson Pharma 14791704
Recon q10
Selleck Coenzyme-Q10-CoQ10
SureChEMBL SCHEMBL19858

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