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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL597849
CHEMBL597849
Compound Name
ChEMBL Synonyms GNF-Pf-4021 | GNF-Pf-4164
Max Phase 0
Trade Names
Molecular Formula C24H22ClN3OS

Additional synonyms for CHEMBL597849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)cc(c1)n2c(C)cc(\C=C\3/SC(=Nc4ccc(Cl)cc4)NC3=O)c2C
Standard InChI InChI=1S/C24H22ClN3OS/c1-14-9-15(2)11-21(10-14)28-16(3)12-18 ...
Download InChI
Standard InChI Key WVSGKKHBDQIDEU-XKZIYDEJSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL597849

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
436 435.1172 6.58 3 71.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.02 - 6.59 6.5 3 30 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL597849. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WVSGKKHBDQIDEU-XKZIYDEJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL597849



eMolecules 27003005
MolPort MolPort-007-554-125
PubChem 5760854
ZINC ZINC000027520697

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