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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL148044
CHEMBL148044
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H19FN4O

Additional synonyms for CHEMBL148044 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1nc2CCN(Cc3ccccc3)Cc2c4nc(cn14)c5ccc(F)cc5
Standard InChI InChI=1S/C22H19FN4O/c23-17-8-6-16(7-9-17)20-14-27-21(24-20)1 ...
Download InChI
Standard InChI Key LANDKUVVCIAGOW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL148044

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
374.4 374.1543 3.8 3 53.66 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.05 3.32 .81 4 28 0.59

Structural Alerts

There are no structural alerts for CHEMBL148044

Compound Cross References

ChemSpider ChemSpider:LANDKUVVCIAGOW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL148044



BindingDB 50120789
IBM Patent System 057EBF00D8FC2E3AB1C9D05AE80F23B3
PubChem 11143256
PubChem: Thomson Pharma 16221165
SureChEMBL SCHEMBL7329196
ZINC ZINC000013492014

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