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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2058916
CHEMBL2058916
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20FN5O3

Additional synonyms for CHEMBL2058916 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CC2=NNC(=O)C3=C2NCCC3)cc1C(=O)N4CCNC(=O)C4
Standard InChI InChI=1S/C19H20FN5O3/c20-14-4-3-11(8-13(14)19(28)25-7-6-21-1 ...
Download InChI
Standard InChI Key GLEKMQVQUBOMFS-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2058916

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
385.4 385.155 0.43 3 107.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.78 3.4 -.62 -.62 2 28 0.71

Structural Alerts

There are no structural alerts for CHEMBL2058916

Compound Cross References

ChemSpider ChemSpider:GLEKMQVQUBOMFS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2058916



BindingDB 50387935
IBM Patent System 19255134D89036248EF0167D0DEB8540
PubChem 69323902
SureChEMBL SCHEMBL5131304
ZINC ZINC000084687546

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