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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281593
CHEMBL281593
Compound Name GUANIDINO ACETATE
ChEMBL Synonyms Guanidinoacetic Acid
Max Phase 0
Trade Names
Molecular Formula C3H7N3O2

Additional synonyms for CHEMBL281593 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCC(=O)O
Standard InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
Standard InChI Key BPMFZUMJYQTVII-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL281593. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL281593

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
117.1 117.0538 -1.3 3 99.19 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.41 13.03 -1.11 -3.61 0 8 0.27

Compound Cross References

ChemSpider ChemSpider:BPMFZUMJYQTVII-UHFFFAOYSA-N
Wikipedia Glycocyamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281593



ACToR 352-97-6
BindingDB 50021601
ChEBI 57742 16344
DrugBank DB02751
eMolecules 515597
FDA SRS GO52O1A04E
Guide to Pharmacology 5325
Human Metabolome Database HMDB00128
IBM Patent System 1DF5B89088338E24DB50AF41E689BECF
KEGG Ligand C00581
Mcule MCULE-8327589872
MolPort MolPort-000-732-415 MolPort-001-766-203
Nikkaji J4.504G
PDBe NMG
PubChem 4546993 763 3946848
PubChem: Thomson Pharma 131533521 16935329
Recon gudac
SureChEMBL SCHEMBL33970
ZINC ZINC13541480 ZINC00895314

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