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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2058920
CHEMBL2058920
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H26FN5O3

Additional synonyms for CHEMBL2058920 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CC2=NNC(=O)C3=C2NCCC3)cc1C(=O)N4CCN(CC4)C(=O)c5ccccc5
Standard InChI InChI=1S/C26H26FN5O3/c27-21-9-8-17(16-22-23-19(7-4-10-28-23) ...
Download InChI
Standard InChI Key SXXZJCHRUKKCEB-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2058920

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
475.5 475.202 2.46 4 98.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.79 3.41 .91 .91 3 35 0.6

Structural Alerts

There are no structural alerts for CHEMBL2058920

Compound Cross References

ChemSpider ChemSpider:SXXZJCHRUKKCEB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2058920



BindingDB 50387939
IBM Patent System C801AC8B0ADAE7B2BE81AB6B1D6C4ADD
PubChem 69319608
SureChEMBL SCHEMBL5121885
ZINC ZINC000084689725

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