ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL118464
CHEMBL118464
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N5O5P

Additional synonyms for CHEMBL118464 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2ncn(C[C@H]3CC[C@H](O3)P(=O)(O)O)c2n1
Standard InChI InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(16)14-10)12-4-15(8)3-5- ...
Download InChI
Standard InChI Key WMVVWDCCZZNNEX-PHDIDXHHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL118464

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
315.2 315.0733 -0.2 3 156.61 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.06 10.13 -2.48 -6.38 2 21 0.56

Structural Alerts

There are 4 structural alerts for CHEMBL118464. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WMVVWDCCZZNNEX-PHDIDXHHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL118464



PubChem 485625
ZINC ZINC000001903563

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