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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL609836
CHEMBL609836
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19N4O9P

Additional synonyms for CHEMBL609836 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)c2nc(O)c3ncn(C4O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H ...
Download SMILES
Standard InChI InChI=1S/C17H19N4O9P/c1-28-9-4-2-8(3-5-9)14-19-15-11(16(24)2 ...
Download InChI
Standard InChI Key LJOFJXTYBXRPHY-ZZEYYFMNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL609836

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
454.3 454.089 0.16 6 199.31 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 5 1 13 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.1 7.82 -2.2 -6.58 3 31 0.32

Structural Alerts

There are 5 structural alerts for CHEMBL609836. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJOFJXTYBXRPHY-ZZEYYFMNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL609836



BindingDB 50405127
PubChem 46876404

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