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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12160
CHEMBL12160
Compound Name BURIMAMIDE
ChEMBL Synonyms Burimamide
Max Phase 0
Trade Names
Molecular Formula C9H16N4S

Additional synonyms for CHEMBL12160 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\N=C(/S)\NCCCCc1c[nH]cn1
Standard InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H, ...
Download InChI
Standard InChI Key HXRBAVXGYZUSED-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL12160

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
212.3 212.1096 1.37 6 91.86 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 16.38 1.19 -1.75 1 14 0.29

Structural Alerts

There are 10 structural alerts for CHEMBL12160. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HXRBAVXGYZUSED-UHFFFAOYSA-N
PubChem SID: 50112929
Wikipedia Burimamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12160



ACToR 34970-69-9
BindingDB 22888
ChEBI 3221
EPA CompTox Dashboard DTXSID00188519
FDA SRS TN5A4OD2TV
IBM Patent System 3F5585E3A5995CF2D7CDDEEEECCE5E35 A5C68239E867D05E474EEC2CC9DDF0A4
KEGG Ligand C07448
Nikkaji J161.437A
PubChem 3032915
PubChem: Thomson Pharma 14993810
SureChEMBL SCHEMBL7860369
ZINC ZINC000013831238

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