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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL609561
CHEMBL609561
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H25N4O8P

Additional synonyms for CHEMBL609561 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCc1nc(O)c2ncn(C3O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2 ...
Download SMILES
Standard InChI InChI=1S/C16H25N4O8P/c1-2-3-4-5-6-10-18-14-11(15(23)19-10)17 ...
Download InChI
Standard InChI Key UBNDRGGFJUTSLA-GQQRLTBFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL609561

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
432.4 432.141 0.38 9 180.28 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 12 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 9.81 -1.26 -5.52 2 29 0.27

Structural Alerts

There are 7 structural alerts for CHEMBL609561. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UBNDRGGFJUTSLA-GQQRLTBFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL609561



BindingDB 50405114
PubChem 46876568

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