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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL372638
CHEMBL372638
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H16FN3

Additional synonyms for CHEMBL372638 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ncc(cc1c2ccc(cc2)C#N)C3CC4CCC3N4
Standard InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-2 ...
Download InChI
Standard InChI Key HMZQULPVMKITSP-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL372638

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
293.4 293.1328 3.37 2 48.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.93 2.85 .48 2 22 0.86

Structural Alerts

There are 3 structural alerts for CHEMBL372638. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HMZQULPVMKITSP-UHFFFAOYSA-N
Wikipedia Furafylline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL372638



BindingDB 50171007
DrugBank DB14029
PubChem 44404226
SureChEMBL SCHEMBL15066863

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