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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1230958
CHEMBL1230958
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H16N2O3

Additional synonyms for CHEMBL1230958 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCCCC[C@H](N)C(=O)O
Standard InChI InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H ...
Download InChI
Standard InChI Key DTERQYGMUDWYAZ-ZETCQYMHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1230958

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
188.2 188.1161 -3.22 6 92.42 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.53 9.91 -.96 -3.46 0 13 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL1230958. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DTERQYGMUDWYAZ-ZETCQYMHSA-N
Wikipedia Acetyllysine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1230958



Brenda 123866 15876 30263 92054 92053 15877 30272
ChEBI 17752 58260
eMolecules 534152
FDA SRS 470AD5VY1X
Human Metabolome Database HMDB0000206
IBM Patent System 08C9CA704D6C4475EFC424127E6CA327
KEGG Ligand C02727
Metabolights MTBLC58260 MTBLC17752
MolPort MolPort-003-940-155
Nikkaji J206.006J
PDBe ALY
PubChem 92832 6991978
PubChem: Thomson Pharma 17161272
Rhea 58260
SureChEMBL SCHEMBL236178
ZINC ZINC000001529433

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