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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL89445
CHEMBL89445
Compound Name TERPYRIDINE
ChEMBL Synonyms GNF-Pf-4776
Max Phase 0
Trade Names
Molecular Formula C15H11N3

Additional synonyms for CHEMBL89445 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(nc1)c2cccc(n2)c3ccccn3
Standard InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2 ...
Download InChI
Standard InChI Key DRGAZIDRYFYHIJ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL89445

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
233.3 233.0953 3.21 2 38.67 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.6 2.18 2.17 3 18 0.68

Structural Alerts

There are no structural alerts for CHEMBL89445

Compound Cross References

ChemSpider ChemSpider:DRGAZIDRYFYHIJ-UHFFFAOYSA-N
PubChem SID: 3711742 SID: 70320
Wikipedia Terpyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL89445



ACToR 1148-79-4
BindingDB 38924
Brenda 90780
ChEBI 245199
ChemicalBook CB1407532
eMolecules 490543
EPA CompTox Dashboard DTXSID2061567
FDA SRS G5E357ISH5
IBM Patent System 71E3A17CAA4596140A152B84F9574904
Mcule MCULE-7869708671
MolPort MolPort-001-758-634
Nikkaji J7.284B
NMRShiftDB 20027673
PubChem 70848
PubChem: Thomson Pharma 14798214
SureChEMBL SCHEMBL57442
ZINC ZINC000000009065

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