ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608484
CHEMBL608484
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N5O7P

Additional synonyms for CHEMBL608484 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](OP(=O)(O)O)[C@H]1OC([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Standard InChI InChI=1S/C11H16N5O7P/c1-4(23-24(19,20)21)8-6(17)7(18)11(22-8 ...
Download InChI
Standard InChI Key DYBVOLZBAYFUSE-XBNXKHKLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL608484

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
361.3 361.0787 -1.47 4 186.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.84 3.82 -2.84 -7.1 2 24 0.4

Structural Alerts

There are 6 structural alerts for CHEMBL608484. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DYBVOLZBAYFUSE-XBNXKHKLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608484



BindingDB 50367109
PubChem 46876922

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