ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL477080
CHEMBL477080
Compound Name ARTELINIC_ACID
ChEMBL Synonyms Sodium Artelinate
Max Phase 0
Trade Names
Molecular Formula C23H30O7

Additional synonyms for CHEMBL477080 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(cc3)C(=O)O)O[C@@H]4O ...
Download SMILES
Standard InChI InChI=1S/C23H30O7/c1-13-4-9-18-14(2)20(26-12-15-5-7-16(8-6-1 ...
Download InChI
Standard InChI Key UVNHKOOJXSALHN-DPLKYLHHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL477080

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
418.5 418.1992 4.11 4 83.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.17 - 3.92 1.03 1 30 0.74

Structural Alerts

There are 7 structural alerts for CHEMBL477080. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UVNHKOOJXSALHN-DPLKYLHHSA-N
Wikipedia Artelinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL477080



IBM Patent System EA5251877E50405A823738EE72E11696
PubChem 9802132
PubChem: Thomson Pharma 14758123
SureChEMBL SCHEMBL17282291
ZINC ZINC000100082300

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