Bioactive Compound Details

BioIDbio3434
NameN-(3,4,5,6-TETRAHYDROPHTHALOYL)-L-THREONINE
ChEMBL IDCHEMBL2289113
Molecular FormulaC12H15NO5
Molecular Weight253.25
Molecular Weight (Monoisotopic)253.095
TypeSmall molecule
Max Phase--
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsNone
SmilesC[C@@H](O)[C@@H](C(=O)O)N1C(=O)C2=C(CCCC2)C1=O
InchiInChI=1S/C12H15NO5/c1-6(14)9(12(17)18)13-10(15)7-4-2-3-5-8(7)11(13)16/h6,9,14H,2-5H2,1H3,(H,17,18)/t6-,9+/m1/s1
Inchi KeyTXPLUYUNLZADHI-MUWHJKNJSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities14.0
Np Likeness Score0.31
Records Key['5b, THP-Thr']
Records Name['N-(3,4,5,6-Tetrahydrophthaloyl)-L-threonine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure