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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2326313
CHEMBL2326313
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H24N4O12

Additional synonyms for CHEMBL2326313 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)CN2C(=O)NC3=C2NC( ...
Download SMILES
Standard InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5 ...
Download InChI
Standard InChI Key GBSMHFFKPGLHAZ-FFAJQDNGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2326313

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
464.4 464.1391 -6.39 8 263.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 10 2 16 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.27 - -4.36 -6.12 2 32 0.17

Structural Alerts

There are 3 structural alerts for CHEMBL2326313. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GBSMHFFKPGLHAZ-FFAJQDNGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2326313



BindingDB 50427444
Brenda 210443
PubChem 71583729
PubChem: Thomson Pharma 163635775
ZINC ZINC000095581559

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