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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1095986
CHEMBL1095986
Compound Name RISTOCETIN
ChEMBL Synonyms Spontin | Ristocetin
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

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

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 no structural alerts for CHEMBL1095986

Alternate Forms of Compound in ChEMBL


CHEMBL1095986

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

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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