Bioactive Compound Details

BioIDbio200494
NameOMPENACLID
ChEMBL IDCHEMBL20489
Molecular FormulaC4H9N3O2
Molecular Weight131.13
Molecular Weight (Monoisotopic)131.0695
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
Synonyms3-Guanidino-Propionic Acid|AMIDINO BETA-ALANINE|Beta-Guanidinopropionic Acid|N-CARBAMIMIDOYL-.BETA.-ALANINE|OMPENACLID|ORISTAR GPA|PNU-10483|RGX 202
SmilesN=C(N)NCCC(=O)O
InchiInChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
Inchi KeyKMXXSJLYVJEBHI-UHFFFAOYSA-N
Molecular SpeciesZWITTERION
Targets10.0
Bioactivities23.0
Np Likeness Score0.4
Records Key['1', '2', '4 (CG2)', '1', 'b', 'guanidinopropionic-acid', 'GUANIDINOPROPIONIC-ACID', 'guanidinopropionic-acid', 'guanidinopropionic-acid', 'OMPENACLID']
Records Name['3-Guanidino-propionic acid', 'beta-Guanidinopropionic acid', '3-Guanidino-propionic acid', '3-Guanidino-propionic acid', '3-Guanidino-propionic acid', 'guanidinopropionic-acid', 'GUANIDINOPROPIONIC-ACID', 'guanidinopropionic-acid', 'guanidinopropionic-acid', 'OMPENACLID']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure