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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL609844
CHEMBL609844
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19N4O8P

Additional synonyms for CHEMBL609844 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(Cc4ccccc4)n ...
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Standard InChI InChI=1S/C17H19N4O8P/c22-13-10(7-28-30(25,26)27)29-17(14(13) ...
Download InChI
Standard InChI Key RLKWZVKPWSFDGH-DSNGXRGGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL609844

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
438.3 438.0941 0.21 6 190.08 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 5 1 12 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.17 9.39 -2.89 -7.15 3 30 0.33

Structural Alerts

There are 5 structural alerts for CHEMBL609844. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RLKWZVKPWSFDGH-DSNGXRGGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL609844



BindingDB 50405124
PubChem 46876569

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