ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2178722
CHEMBL2178722
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H20N5O9P

Additional synonyms for CHEMBL2178722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [NH4+].[NH4+].ONC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)([O-])[ ...
Download SMILES
Standard InChI InChI=1S/C9H14N3O9P.2H3N/c13-6-4(3-20-22(17,18)19)21-8(7(6)1 ...
Download InChI
Standard InChI Key AHRZEJCIXABXEB-WFIJOQBCSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL2178722

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
339.2 339.0468 -2.46 2 5 No No ACID


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
1.86 3.71 -4.65 -8.95 0 22 2 0.23

Compound Cross References

ChemSpider ChemSpider:AHRZEJCIXABXEB-WFIJOQBCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2178722



PubChem: Thomson Pharma 163504218
PubChem 71457206 71513569

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