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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1519327
CHEMBL1519327
Compound Name ZIRAM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12N2S4Zn

Additional synonyms for CHEMBL1519327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Zn+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-]
Standard InChI InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2 ...
Download InChI
Standard InChI Key DUBNHZYBDBBJHD-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1519327

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
121.2 121.002 0.76 0 3.24 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.21 .9 .76 -2.66 0 6 0.37

Structural Alerts

There are 11 structural alerts for CHEMBL1519327. To view alerts please click here.

Compound Cross References

FRAC M - MULTI-SITE CONTACT ACTIVITY
M1 - MULTI-SITE CONTACT ACTIVITY
M1M3 - DITHIOCARBAMATES AND RELATIVES
M1M3A - DITHIOCARBAMATES AND RELATIVES
M1M3A8 - ZIRAM
ChemSpider ChemSpider:DUBNHZYBDBBJHD-UHFFFAOYSA-L
PubChem SID: 144209108 SID: 144210821 SID: 17389682 SID: 26757875

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1519327



ACToR 111922-61-3 137-30-4
ChEBI 79736
ChemicalBook CB1202261
eMolecules 2725152 3715349
EPA CompTox Dashboard DTXSID0021464
FDA SRS 73D8UA974J
KEGG Ligand C15229
MolPort MolPort-019-903-790
Nikkaji J23.401J
PubChem 3485262 8722
PubChem: Thomson Pharma 16206847 14898632
SureChEMBL SCHEMBL22004

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