Bioactive Compound Details

BioIDbio3492
NameTHREONINE
ChEMBL IDCHEMBL291747
Molecular FormulaC4H9NO3
Molecular Weight119.12
Molecular Weight (Monoisotopic)119.0582
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsFEMA NO. 4710|L-THREONINE|NSC-16589|NSC-46701|THREONINE|TREONINA|Threonine
SmilesC[C@@H](O)[C@H](N)C(=O)O
InchiInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
Inchi KeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
Molecular SpeciesZWITTERION
Targets36.0
Bioactivities53.0
Np Likeness Score1.17
Records Key['3', '107', 'L-Threonine', 'L-threonine', 'THREONINE', 'L-THREONINE', 'SID144205707', 'L-threonine', 'Threonine', 'Ser/Threo family, cpd3', 'SID170465476', 'L-threonine', 'COVC-0140004678', 'L-threonine', 'threonine', 'Threonine']
Records Name['(R)-2-(S)-Amino-3-hydroxy-butyric acid', '2-Amino-3-hydroxy-butyric acid', 'L-Threonine', 'L-threonine', 'THREONINE', 'L-THREONINE', 'SID144205707', 'L-threonine', 'Threonine', '(L)-Threonine', 'SID170465476', 'L-threonine', 'THREONINE', 'L-threonine', 'threonine', 'Threonine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure