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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL428369
CHEMBL428369
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H22N4O2

Additional synonyms for CHEMBL428369 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N2CCC[C@H]2C#N)N3CCCC3
Standard InChI InChI=1S/C15H22N4O2/c16-9-12-4-3-7-19(12)15(21)13-8-11(10-17 ...
Download InChI
Standard InChI Key IDEMNOKYHUVWIE-AVGNSLFASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL428369

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
290.4 290.1743 0.1 2 76.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.45 .77 -.16 0 21 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL428369. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IDEMNOKYHUVWIE-AVGNSLFASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL428369



BindingDB 50205208
Brenda 36749
PubChem 11173801
PubChem: Thomson Pharma 16253861
ZINC ZINC000028816279

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