ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL611911
CHEMBL611911
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N5O8P

Additional synonyms for CHEMBL611911 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1[C@H](COP(=O)(O)O)OC([C@H]1O)n2cnc3c(O)nc(nc23)c4cccn ...
Download SMILES
Standard InChI InChI=1S/C15H16N5O8P/c21-10-8(5-27-29(24,25)26)28-15(11(10)2 ...
Download InChI
Standard InChI Key XEAWTDQJPJUNNT-GQCREDPHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL611911

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
425.3 425.0736 -0.98 5 202.97 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
1.3 4.85 -3.6 -8.84 3 29 0.31

Structural Alerts

There are 5 structural alerts for CHEMBL611911. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XEAWTDQJPJUNNT-GQCREDPHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL611911



BindingDB 50405125
PubChem 46876439

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