Bioactive Compound Details

BioIDbio199598
NameMLi-2
ChEMBL IDCHEMBL4098877
Molecular FormulaC21H25N5O2
Molecular Weight379.46
Molecular Weight (Monoisotopic)379.2008
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsMerck LRRK2 inhibitor-2
SmilesC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1
InchiInChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
Inchi KeyATUUNJCZCOMUKD-OKILXGFUSA-N
Molecular SpeciesNEUTRAL
Targets548.0
Bioactivities1119.0
Np Likeness Score-0.81
Records Key['19', 'MLi-2', 'MLi-2', '1; MLi-2', 'EUB0000715', 'MLi-2; 4', 'EUB0000715a', '18; MLi-2', 'EUB0000715a', 'EUB0000715a', 'EUB0000715a', 'EUB0000715a', '1; MLi-2', 'EOS100256', '48; MLi-2', 'MLi-2', '5; MLi-2', '1; Mli-2', 'MLi-2', '2; MLi-2', 'MLi-2']
Records Name['(2S,6R)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', 'MLi-2', 'MLi-2', 'cis-2,6-Dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', 'MLi_2', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', 'MLi-2', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', 'MLi-2', 'MLi-2', 'MLi-2', 'MLi-2', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', 'MLi-2', '(2S,6R)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', '(2R,6S)-2,6-dimethyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine', '3-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl}-5-(1-methylcyclopropoxy)-1H-indazole']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure