MELARSOPROL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P01CD01
UNII: ZF3786Q2E8

Structure
InChI Key JCYZMTMYPZHVBF-UHFFFAOYSA-N
Smile Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1
InChI
InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15AsN6OS2
Molecular Weight 398.35
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- - - - 94-94

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 6729
ChEMBL CHEMBL166
DrugBank DB12864
DrugCentral 3336
FDA SRS ZF3786Q2E8
KEGG C08001
PubChem 10311
SureChEMBL SCHEMBL61707
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