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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL232315
CHEMBL232315
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N4O2

Additional synonyms for CHEMBL232315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)[C@@H]1CN[C@@H](C1)C(=O)N2CCC[C@H]2C#N
Standard InChI InChI=1S/C11H16N4O2/c12-5-8-2-1-3-15(8)11(17)9-4-7(6-14-9)10 ...
Download InChI
Standard InChI Key JEJIFJCHFQDJJT-CIUDSAMLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL232315

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
236.3 236.1273 -1.04 2 99.22 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
- 8.3 -.1 -.92 0 17 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL232315. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JEJIFJCHFQDJJT-CIUDSAMLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL232315



BindingDB 50205204
Brenda 36795
PubChem 44429612
ZINC ZINC000028816236

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