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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16259
CHEMBL16259
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H35N3O3

Additional synonyms for CHEMBL16259 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Standard InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13- ...
Download InChI
Standard InChI Key YKBFJHZDRYDDLG-IBGZPJMESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16259

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
377.5 377.2678 2.64 14 104.45 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.84 10.66 2.83 -.04 1 27 0.37

Structural Alerts

There are 8 structural alerts for CHEMBL16259. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YKBFJHZDRYDDLG-IBGZPJMESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16259



BindingDB 50111636
Nikkaji J1.697.455B
PubChem 10091023
PubChem: Thomson Pharma 15078187
ZINC ZINC000013587108

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