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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL533269
CHEMBL533269
Compound Name
ChEMBL Synonyms OSM-S-06
Max Phase 0
Trade Names
Molecular Formula C26H25FN4O4

Additional synonyms for CHEMBL533269 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1N(C(=O)C(=C1C)NC(=O)COC(=O)c2cc(C)n(c2C)c3ccc(F)cc3)c4ccc ...
Download SMILES
Standard InChI InChI=1S/C26H25FN4O4/c1-16-14-22(17(2)30(16)20-12-10-19(27)1 ...
Download InChI
Standard InChI Key OFHDGHFNTKVFPI-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • Open Source Malaria Screening
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL533269

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
476.5 476.186 2.79 7 83.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.33 .95 2.15 2.15 3 35 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL533269. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OFHDGHFNTKVFPI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL533269



eMolecules 3108829
Mcule MCULE-3384452349
MolPort MolPort-004-261-438
PubChem 2369167
ZINC ZINC000003252232

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