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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL606058
CHEMBL606058
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19N4O8PS

Additional synonyms for CHEMBL606058 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)n2c(SCc3ccccc3)nc4c(O ...
Download SMILES
Standard InChI InChI=1S/C17H19N4O8PS/c22-12-10(6-28-30(25,26)27)29-16(13(12 ...
Download InChI
Standard InChI Key JUSWVPKXCFKXRW-AARXTDBFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL606058

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
470.4 470.0661 1.22 7 215.38 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.19 8.43 -1.85 -6.15 3 31 0.24

Structural Alerts

There are 5 structural alerts for CHEMBL606058. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUSWVPKXCFKXRW-AARXTDBFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL606058



BindingDB 50367015
PubChem 46873907

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