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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19439
CHEMBL19439
Compound Name IMETIT
ChEMBL Synonyms Imetit | Imetit Dihydrobromide
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

Structural Alerts

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

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

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
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