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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56021
CHEMBL56021
Compound Name ACETYL-L-LEUCINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H15NO3

Additional synonyms for CHEMBL56021 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)C)C(=O)O
Standard InChI InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H ...
Download InChI
Standard InChI Key WXNXCEHXYPACJF-ZETCQYMHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56021

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
173.2 173.1052 0.57 4 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.67 - -.27 -3.83 0 12 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL56021. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WXNXCEHXYPACJF-ZETCQYMHSA-N
PubChem SID: 11112472 SID: 144204915 SID: 170466209
Wikipedia Acetylleucine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56021



ACToR 99-15-0
Brenda 57225 16378 31554 103259 47385 48051 153792 99974 8146 105357
ChEBI 17786
eMolecules 474761
EPA CompTox Dashboard DTXSID6045870
FDA SRS E915HL7K2O
Human Metabolome Database HMDB0011756
IBM Patent System AA706DDA9BBD4C866464DEF3FFDF345A
KEGG Ligand C02710
LINCS LSM-20975
Mcule MCULE-3541053611 MCULE-9082534218
Metabolights MTBLC17786
MolPort MolPort-001-792-394
Nikkaji J23.189D
PDBe LAY
PubChem 70912
PubChem: Thomson Pharma 16178835
SureChEMBL SCHEMBL282372
ZINC ZINC000000135384

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