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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL48217
CHEMBL48217
Compound Name DAPI
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15N5

Additional synonyms for CHEMBL48217 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=N)N
Standard InChI InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(1 ...
Download InChI
Standard InChI Key FWBHETKCLVMNFS-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL48217

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
277.3 277.1327 2.05 3 115.53 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 5 0 5 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 13.73 1.34 -1.66 3 21 0.37

Structural Alerts

There are 5 structural alerts for CHEMBL48217. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FWBHETKCLVMNFS-UHFFFAOYSA-N
Wikipedia DAPI

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL48217



ACToR 47165-04-8
BindingDB 50010058
Brenda 43385 151313
ChEBI 51231
eMolecules 1934883
Guide to Pharmacology 5498
IBM Patent System 47203C18F7C801FC9C911FD0B5112ACE
Nikkaji J277.726F
PDBe DAP
PubChem 2954
PubChem: Thomson Pharma 14972687
SureChEMBL SCHEMBL235865
ZINC ZINC000000056538

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