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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28328
CHEMBL28328
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H14N2O2

Additional synonyms for CHEMBL28328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCC(N)C(=O)O
Standard InChI InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9, ...
Download InChI
Standard InChI Key KDXKERNSBIXSRK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL28328

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
146.2 146.1055 -3.24 5 89.33 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.49 10.64 -.73 -4.2 0 10 0.36

Structural Alerts

There are 3 structural alerts for CHEMBL28328. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KDXKERNSBIXSRK-UHFFFAOYSA-N
PubChem SID: 26757946
Wikipedia Lysine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28328



ACToR 56-87-1 70-54-2
Brenda 47890
ChEBI 25094
eMolecules 524856
Human Metabolome Database HMDB0142894
IBM Patent System DD35C410490A9111EEFC67568E4DDE3F
KEGG Ligand C16440
Mcule MCULE-6537319758
Metabolights MTBLC25094
MolPort MolPort-001-779-975
Nikkaji J1.280G
NMRShiftDB 10016964
PubChem 866 5248709
PubChem: Thomson Pharma 15437346
SureChEMBL SCHEMBL1645

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