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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL245416
CHEMBL245416
Compound Name L-MIMOSINE
ChEMBL Synonyms L-Mimosine
Max Phase 0
Trade Names
Molecular Formula C8H10N2O4

Additional synonyms for CHEMBL245416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CN1C=CC(=O)C(=C1)O)C(=O)O
Standard InChI InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2 ...
Download InChI
Standard InChI Key WZNJWVWKTVETCG-YFKPBYRVSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL245416

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
198.2 198.0641 -1.03 3 105.55 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.06 8.72 -1.51 -4.19 1 14 0.58

Structural Alerts

There are 4 structural alerts for CHEMBL245416. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WZNJWVWKTVETCG-YFKPBYRVSA-N
PubChem SID: 90340685

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL245416



BindingDB 50198715
Brenda 19963 2850 44992 4892
ChEBI 29063 77689
DrugBank DB01055
DrugCentral 1811
eMolecules 591500
FDA SRS Z46B1LUI5N
Human Metabolome Database HMDB0015188
IBM Patent System D86DA6397266B7B1FF15C1455C854EEA
KEGG Ligand C04771
Metabolights MTBLC29063 MTBLC77689
MolPort MolPort-003-958-613
Nikkaji J9.396C
PDBe MMS
PharmGKB PA164752445
PubChem 440473 6971294
PubChem: Thomson Pharma 14773053 16776717
Rhea 77689
SureChEMBL SCHEMBL41925
ZINC ZINC000000902159

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