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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448301
CHEMBL448301
Compound Name ANSERINE
ChEMBL Synonyms Anserine
Max Phase 0
Trade Names
Molecular Formula C10H16N4O3

Additional synonyms for CHEMBL448301 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O
Standard InChI InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2 ...
Download InChI
Standard InChI Key MYYIAHXIVFADCU-QMMMGPOBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL448301

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
240.3 240.1222 -4.2 6 110.24 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.02 9.02 -2.79 -5.44 1 17 0.47

Structural Alerts

There are 1 structural alerts for CHEMBL448301. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MYYIAHXIVFADCU-QMMMGPOBSA-N
Wikipedia Anserine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448301



ACToR 584-85-0
Brenda 170592 6484 170593
ChEBI 58445 18323
eMolecules 30152603
FDA SRS HDQ4N37UGV
Human Metabolome Database HMDB0000194
IBM Patent System CB03DF2769CED307F77F68616E0B1B9E
KEGG Ligand C01262
Metabolights MTBLC58445 MTBLC18323
MolPort MolPort-006-111-940
Nikkaji J28.566H
PubChem 6992114 112072
PubChem: Thomson Pharma 14798348
Rhea 58445
SureChEMBL SCHEMBL34255
ZINC ZINC000001532910

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