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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL373250
CHEMBL373250
Compound Name
ChEMBL Synonyms L-838417
Max Phase 0
Trade Names
Molecular Formula C19H19F2N7O

Additional synonyms for CHEMBL373250 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1ncnc1COc2nn3c(nnc3cc2C(C)(C)C)c4cc(F)ccc4F
Standard InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5 ...
Download InChI
Standard InChI Key BQDUNOMMYOKHEP-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL373250

Alternate Forms of Compound in ChEMBL


CHEMBL373250

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
399.4 399.1619 3.85 5 83.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.13 3.68 3.68 4 29 0.51

Compound Cross References

ChemSpider ChemSpider:BQDUNOMMYOKHEP-UHFFFAOYSA-N
Wikipedia L-838,417

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL373250



BindingDB 50179998
eMolecules 25678159
EPA CompTox Dashboard DTXSID90432710
FDA SRS 8CZO0970G3
Guide to Pharmacology 4241
IBM Patent System 9C9D0A85C7EFF35E668DB7F87758274C
Nikkaji J2.147.686B
PubChem 9908880
PubChem: Thomson Pharma 14879045
SureChEMBL SCHEMBL249109
ZINC ZINC00602652

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