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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608115
CHEMBL608115
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H24N4O3

Additional synonyms for CHEMBL608115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Standard InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-1 ...
Download InChI
Standard InChI Key GZBOGFDHJAMENH-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL608115

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
332.4 332.1848 2.11 7 85.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.92 - 2.76 2.76 1 24 0.47

Structural Alerts

There are 11 structural alerts for CHEMBL608115. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZBOGFDHJAMENH-HNNXBMFYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608115



BindingDB 50304794
PubChem 24897809
PubChem: Thomson Pharma 53782143
ZINC ZINC000045390121

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