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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22148
CHEMBL22148
Compound Name
ChEMBL Synonyms GNF-Pf-26
Max Phase 0
Trade Names
Molecular Formula C12H14N4

Additional synonyms for CHEMBL22148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1nc(N)nc(N)c1c2ccccc2
Standard InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15- ...
Download InChI
Standard InChI Key XREDUPOVEQDQQS-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • Novartis Malaria Screening
  • Scientific Literature
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL22148

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
214.3 214.1218 1.87 2 77.82 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.44 2.08 1.75 2 16 0.8

Structural Alerts

There are 1 structural alerts for CHEMBL22148. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XREDUPOVEQDQQS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22148



ACToR 27653-49-2
BindingDB 18788
Brenda 35768
DrugBank DB07577
eMolecules 4324734
EPA CompTox Dashboard DTXSID70182029
FDA SRS KMJ59LN22F
IBM Patent System 60B671472C91B53AA3C974C1B21998FB
Mcule MCULE-8548953211
MolPort MolPort-002-484-045
Nikkaji J85.936B
PDBe CP7
PubChem 93114
PubChem: Thomson Pharma 21961610
SureChEMBL SCHEMBL3498787
ZINC ZINC000013282257

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