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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL569275
CHEMBL569275
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H19N5O4

Additional synonyms for CHEMBL569275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC4CCC4)ncnc23
Standard InChI InChI=1S/C14H19N5O4/c20-4-8-10(21)11(22)14(23-8)19-6-17-9-12 ...
Download InChI
Standard InChI Key LDCLWBBQUVOXBH-IDTAVKCVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL569275

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
321.3 321.1437 -0.6 4 125.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 3.61 .57 .57 2 23 0.59

Structural Alerts

There are no structural alerts for CHEMBL569275

Compound Cross References

ChemSpider ChemSpider:LDCLWBBQUVOXBH-IDTAVKCVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL569275



BindingDB 50452201
IBM Patent System EAE48025D1450E401A7B2BCC18025BBB
Nikkaji J404.742G
PubChem 10358690
PubChem: Thomson Pharma 15371671
SureChEMBL SCHEMBL9793271

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