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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347112
CHEMBL2347112
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N4O2

Additional synonyms for CHEMBL2347112 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nc(Cc2ccccc2)c3C[C@H](N)C(=O)N(O)c13
Standard InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16 ...
Download InChI
Standard InChI Key ABBLRYAESUTTSD-NSHDSACASA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347112

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
272.3 272.1273 0.97 2 84.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.29 7.11 -1.98 -2.18 2 20 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL2347112. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ABBLRYAESUTTSD-NSHDSACASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347112



BindingDB 107720
PubChem 71059324
SureChEMBL SCHEMBL14052940
ZINC ZINC000095603497

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