ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234293
CHEMBL1234293
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N5O5+

Additional synonyms for CHEMBL1234293 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
Standard InChI InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10- ...
Download InChI
Standard InChI Key OGHAROSJZRTIOK-KQYNXXCUSA-O

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1234293

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
298.3 298.1146 -3.26 2 150.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 10 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.78 - -5.18 -4.64 2 21 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL1234293. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OGHAROSJZRTIOK-KQYNXXCUSA-O

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234293



Brenda 2641 8666 42526
ChEBI 20794
DrugBank DB03493
Human Metabolome Database HMDB0001107
IBM Patent System A38160BCFBE0CE5F52CAB1CEC9369B6A
Metabolights MTBLC20794
Nikkaji J130.670G
PDBe MG7
PubChem 445404
Rhea 20794
SureChEMBL SCHEMBL40998
ZINC ZINC000018130229

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OGHAROSJZRTIOK-KQYNXXCUSA-O spacer
spacer