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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL58832
CHEMBL58832
Compound Name ASPARAGINE
ChEMBL Synonyms ASPARAGINE | L-asparagine
Max Phase 0
Trade Names
Molecular Formula C4H8N2O3

Additional synonyms for CHEMBL58832 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CC(=O)N)C(=O)O
Standard InChI InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8, ...
Download InChI
Standard InChI Key DCXYFEDJOCDNAF-REOHCLBHSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL58832

Molecule Features

CHEMBL58832 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ASPARAGINE
The Cochrane Collaboration ASPARAGINE

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
132.1 132.0535 -4.41 3 106.41 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.3 8.42 -1.88 -4.44 0 9 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL58832. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DCXYFEDJOCDNAF-REOHCLBHSA-N
Wikipedia Asparagine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL58832



ACToR 32640-57-6
Brenda 2264 840 266 1506 136825
ChEBI 58048 17196
DrugBank DB00174
DrugCentral 4126
eMolecules 478690
FDA SRS 5Z33R5TKO7
Guide to Pharmacology 4533
Human Metabolome Database HMDB0000168
IBM Patent System 49C9CE09CEBA37053C5882BBC144950E
KEGG Ligand C00152
Mcule MCULE-1868046141
Metabolights MTBLC17196 MTBLC58048
Nikkaji J9.178B
PDBe ASN 41Q
PharmGKB PA164776968
PubChem 6267 6992089
PubChem: Thomson Pharma 14747678 15119952
Recon asn_L
Rhea 58048
SureChEMBL SCHEMBL8827
ZINC ZINC000001532556

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