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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1196470
CHEMBL1196470
Compound Name
ChEMBL Synonyms 2-Guanidinoethyl Carbamimidothioate
Max Phase 0
Trade Names
Molecular Formula C4H11N5S

Additional synonyms for CHEMBL1196470 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCSC(=N)N
Standard InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5 ...
Download InChI
Standard InChI Key GSYGTVNTZHFQQH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1196470

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
161.2 161.0735 -0.54 5 137.07 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 5 0 5 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.31 -1.37 -4.09 0 10 0.21

Structural Alerts

There are 8 structural alerts for CHEMBL1196470. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GSYGTVNTZHFQQH-UHFFFAOYSA-N
Wikipedia VUF-8430

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1196470



BindingDB 50419443
Guide to Pharmacology 1274
Mcule MCULE-7364549685
Nikkaji J2.623.667C
PubChem 3063228
ZINC ZINC000013831220

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