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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL251433
CHEMBL251433
Compound Name MIMOSINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H10N2O4

Additional synonyms for CHEMBL251433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(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-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL251433

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 CHEMBL251433. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WZNJWVWKTVETCG-UHFFFAOYSA-N
PubChem SID: 113203 SID: 26748432
Wikipedia Mimosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL251433



ACToR 27678-82-6
ChEBI 95190
eMolecules 1972116
IBM Patent System E491C19CDDE8BFCD3CDDB41AC77413EF
LINCS LSM-6473
Mcule MCULE-6953076060
Nikkaji J51.339C
PubChem 3862
PubChem: Thomson Pharma 14748649
SureChEMBL SCHEMBL41924

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