ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL443683
CHEMBL443683
Compound Name TELOMESTATIN
ChEMBL Synonyms Telomestatin
Max Phase 0
Trade Names
Molecular Formula C26H14N8O7S

Additional synonyms for CHEMBL443683 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1oc2nc1c3oc(C)c(n3)c4occ(n4)c5occ(n5)c6occ(n6)c7occ(n7)c8o ...
Download SMILES
Standard InChI InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37- ...
Download InChI
Standard InChI Key YVSQVYZBDXIXCC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL443683

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
582.5 582.0706 5.77 0 194.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 0 3 15 0 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .31 8.06 8.06 7 42 0.21

Structural Alerts

There are no structural alerts for CHEMBL443683

Compound Cross References

ChemSpider ChemSpider:YVSQVYZBDXIXCC-UHFFFAOYSA-N
Wikipedia Telomestatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL443683



BindingDB 213233
ChEBI 29689
IBM Patent System 8A9A4567525AC8314ACDAD452866FF53
KEGG Ligand C12040
Nikkaji J1.517.410B
PubChem 443590
PubChem: Thomson Pharma 14911415
SureChEMBL SCHEMBL10025441

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