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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

Structural Alerts

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

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 NEUTRAL


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
10.84 7.47 3.26 2.94 0 10 0.21

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

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