Bioactive Compound Details

BioIDbio199053
Name5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE
ChEMBL IDCHEMBL4788866
Molecular FormulaC19H27ClN6O
Molecular Weight390.92
Molecular Weight (Monoisotopic)390.1935
TypeSmall molecule
Max PhasePhase 1
Target IDTar81
Target NameNone
Synonyms5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE|GLP 4716|GLPG4716|OAT 889|OATD 01|OATD-01
SmilesC[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InchiInChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1
Inchi KeySTWVLEKJQQRGMO-GUYCJALGSA-N
Molecular SpeciesNEUTRAL
Targets28.0
Bioactivities82.0
Np Likeness Score-1.01
Records Key['9; OATD-01', '5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE']
Records Name['5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholino)-piperidin-1-yl)-4H-1,2,4-triazol-3-amine', '5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure