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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 MEL B | MELARSOPROL | RP 3854
Max Phase 3
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

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL166

Molecule Features

CHEMBL166 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov MELARSOPROL
The Cochrane Collaboration MELARSOPROL

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
- - - - - -


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 CHEMBL166

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01C - AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
P01CD - Arsenic compounds
P01CD01 - melarsoprol

ChemSpider ChemSpider:JCYZMTMYPZHVBF-UHFFFAOYSA-N
Wikipedia Melarsoprol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL166



ACToR 494-79-1
Brenda 50093
ChEBI 6729
DrugBank DB12864
DrugCentral 3336
KEGG Ligand C08001
Nikkaji J9.388B
PubChem 10311
PubChem: Drugs of the Future 26683771
PubChem: Thomson Pharma 14830359
SureChEMBL SCHEMBL61707

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