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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1095986
CHEMBL1095986
Compound Name RISTOCETIN
ChEMBL Synonyms RISTOCETIN | SPONTIN
Max Phase 0
Trade Names
Molecular Formula C94H108N8O44

Additional synonyms for CHEMBL1095986 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1O[C@H](C[C@@H](N)[C@H]1O)O[C@H]2[C@@H]3NC(=O)[C@H](N ...
Download SMILES
Standard InChI InChI=1S/C94H108N8O44/c1-29-46(109)17-36-19-47(29)137-48-18- ...
Download InChI
Standard InChI Key BGTFCAQCKWKTRL-YDEUACAXSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1095986

Molecule Features

CHEMBL1095986 compound icon
Drug Type:Unknown Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov RISTOCETIN
The Cochrane Collaboration RISTOCETIN

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
2053.9 2052.6459 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL1095986

Compound Cross References

ChemSpider ChemSpider:BGTFCAQCKWKTRL-YDEUACAXSA-N
Wikipedia Ristocetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1095986



PubChem 46887793

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