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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:MYYIAHXIVFADCU-QMMMGPOBSA-N
Wikipedia Anserine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448301



ACToR 584-85-0
ChEBI 58445 18323
eMolecules 30152603
FDA SRS HDQ4N37UGV
Human Metabolome Database HMDB00194
IBM Patent System CB03DF2769CED307F77F68616E0B1B9E
IBM Patents WO2001064638A1
KEGG Ligand C01262
Nikkaji J28.566H
PubChem 6992114 112072
PubChem: Thomson Pharma 14798348
SureChEMBL SCHEMBL34255

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