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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL437314
CHEMBL437314
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13N3O

Additional synonyms for CHEMBL437314 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](N)Cn1ncc2ccc(O)cc12
Standard InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h ...
Download InChI
Standard InChI Key WBYHTZYHAFNBKW-SSDOTTSWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL437314

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
191.2 191.1059 1.09 2 64.07 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.3 8.9 1.08 -.14 2 14 0.75

Structural Alerts

There are no structural alerts for CHEMBL437314

Compound Cross References

ChemSpider ChemSpider:WBYHTZYHAFNBKW-SSDOTTSWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL437314



BindingDB 50180256
MolPort MolPort-044-562-034
PubChem: Thomson Pharma 16747341
SureChEMBL SCHEMBL6088764
ZINC ZINC000013679044

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