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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL58343
CHEMBL58343
Compound Name AGMATINE
ChEMBL Synonyms Agmatine | Agmatine Sulfate
Max Phase 0
Trade Names
Molecular Formula C5H14N4

Additional synonyms for CHEMBL58343 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCNC(=N)N
Standard InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
Standard InChI Key QYPPJABKJHAVHS-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL58343. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL58343

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
130.2 130.1218 -0.97 5 87.91 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 4 0 4 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 13.48 -1.42 -5.45 0 9 0.22

Compound Cross References

ChemSpider ChemSpider:QYPPJABKJHAVHS-UHFFFAOYSA-N
PubChem SID: 11110769 SID: 11113734 SID: 124879247 SID: 90341553
Wikipedia Agmatine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL58343



ACToR 306-60-5
BindingDB 85213
ChEBI 17431
DrugBank DB08838
eMolecules 1013436
EPA CompTox Dashboard DTXSID0040961
FDA SRS 70J407ZL5Q
Guide to Pharmacology 4127
Human Metabolome Database HMDB01432
IBM Patent System 3110A059174433BAE6A5830600D87ED1
KEGG Ligand C00179
MolPort MolPort-006-111-185
Nikkaji J11.608D
PDBe AG2
PubChem 199
PubChem: Thomson Pharma 15194512
SureChEMBL SCHEMBL19647

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