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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL377082
CHEMBL377082
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19FN4O6

Additional synonyms for CHEMBL377082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc2[nH]c(nc2c1)c3cc(cc(c3O)c4cc(F)ccc4O)C(CC(=O)O)C ...
Download SMILES
Standard InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24( ...
Download InChI
Standard InChI Key DYRLXWPGPHQSRF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL377082

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
478.4 478.1289 3.37 7 193.61 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 7 1 10 8 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.65 12.23 .2 -3.38 4 35 0.16

Structural Alerts

There are 6 structural alerts for CHEMBL377082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DYRLXWPGPHQSRF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL377082



BindingDB 14898
Brenda 58408
IBM Patent System C6B8A25D1F76E36E90F23FE211E9C799
PubChem: Thomson Pharma 15204065
SureChEMBL SCHEMBL6392464

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