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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL166
CHEMBL166
Compound Name MELARSOPROL
ChEMBL Synonyms Melarsoprol
Max Phase 0
Trade Names
Molecular Formula C12H15AsN6OS2

Additional synonyms for CHEMBL166 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(N)nc(Nc2ccc(cc2)[As]3SCC(CO)S3)n1
Standard InChI InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1- ...
Download InChI
Standard InChI Key JCYZMTMYPZHVBF-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL166

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
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ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - - - - - - -0

Compound Cross References

ChemSpider ChemSpider:JCYZMTMYPZHVBF-UHFFFAOYSA-N
Wikipedia Melarsoprol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL166



PubChem: Drugs of the Future 26683771
KEGG Ligand C08001
PubChem: Thomson Pharma 14830359
PubChem 10311

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