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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608353
CHEMBL608353
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H21N6O8P

Additional synonyms for CHEMBL608353 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCCNc1ncnc2c1ncn2C3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O
Standard InChI InChI=1S/C14H21N6O8P/c1-7(21)15-2-3-16-12-9-13(18-5-17-12)20 ...
Download InChI
Standard InChI Key IQLSZVIBSSZSBX-OYBGHCQBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL608353

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
432.3 432.1158 -1.9 8 201.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 6 2 14 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 3.18 -3.65 -7.91 2 29 0.2

Structural Alerts

There are 6 structural alerts for CHEMBL608353. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IQLSZVIBSSZSBX-OYBGHCQBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608353



BindingDB 50367102
PubChem 46876298

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