ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19439
CHEMBL19439
Compound Name IMETIT
ChEMBL Synonyms Imetit Dihydrobromide | Imetit
Max Phase 0
Trade Names
Molecular Formula C6H10N4S

Additional synonyms for CHEMBL19439 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)SCCc1c[nH]cn1
Standard InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3 ...
Download InChI
Standard InChI Key PEHSVUKQDJULKE-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL19439

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
170.2 170.0626 0.36 4 103.85 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.5 -.06 -1.35 1 11 0.45

Structural Alerts

There are 6 structural alerts for CHEMBL19439. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PEHSVUKQDJULKE-UHFFFAOYSA-N
PubChem SID: 11111301 SID: 11113668 SID: 124880387 SID: 90341548
Wikipedia Imetit

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19439



ACToR 102203-18-9
BindingDB 22911
ChEBI 64156
EPA CompTox Dashboard DTXSID8043737
FDA SRS 677MJ4VPZC
Guide to Pharmacology 1250
IBM Patent System 372A59F340109B74B6644DCA3027C197
KEGG Ligand C17931
Nikkaji J506.341H
PubChem 3692
PubChem: Thomson Pharma 14772577 15321889
SureChEMBL SCHEMBL114670

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