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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

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

Structural Alerts

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

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 ZINC00895314 ZINC13541480

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