Bioactive Compound Details

BioIDbio3323
NameQUININE
ChEMBL IDCHEMBL170
Molecular FormulaC20H24N2O2
Molecular Weight324.42
Molecular Weight (Monoisotopic)324.1838
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(8S,9R)-6'-METHOXYCINCHONAN-9-OL|CHININUM PURUM|NSC-192949|QUININE|Quinine|REZQUIN|WR297608
SmilesC=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
InchiInChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
Inchi KeyLOUPRKONTZGTKE-WZBLMQSHSA-N
Molecular SpeciesBASE
Targets116.0
Bioactivities876.0
Np Likeness Score0.83
Records Key['10', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', '11', '11 Quinine', 'OSL-4', 'quinine', 'quinine', 'Quinine', 'Quinine', 'quinine', 'Quinine', 'Quinine', '216', 'Quinine salt', 'Quinine', 'quinine', 'Quinine', 'Quinine', '289', 'QN', 'QN', 'quinine', '1', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'quinine', '9a', 'quinine', '1a', 'quinine', 'quinine', 'quinine', 'quinine', '10a', 'quinine', 'quinine', 'quinine', 'quinine', 'quinine', 'quinine', 'GNF-Pf-180', 'quinine', 'quinine', 'quinine', 'quinine', 'Quinine', 'quinine', 'quinine', 'XVII', '71', 'quinine', 'quinine', 'quinine', 'quinine', 'quinine', 'Quinine', 'Quinine', 'quinine', '3, SI, Figure 1', 'C34', 'Quinine', '4', 'quinine', 'quinine', 'quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'QUININE', 'Quinine', 'quinine', '412', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'QN', '2', 'Quinine', 'quinine', 'Quinine', 'Quinine', 'QNN', 'quinine', '9', 'QN', 'QUININE', 'Quinine', 'Quinine', 'quinine', 'Quinine', '5', 'Quinine', 'Quinine', 'Quinine', 'QN', 'QUININE', 'Quinine', 'Quinine', 'Quinine', 'QN', 'QN', '2869', '132', 'Quinine', '2', 'Quinine', 'Quinine', 'Quinine', '1', 'Quinine', 'Quinine', 'AZ185', 'Qu', 'quinine', 'Quinine', 'quinine', 'QUININE', 'Quinine', 'Quinine', 'Quinine', '3', 'Quinine', 'Quinine', 'Quinine', 'QN', 'QN', 'Quinine (table SV)', '178 (table SVIII)', 'QN', 'Quinine', 'Quinine', 'Q', 'QUININE', 'Quinine', 'Quinine', 'Quinine', '40', '3179', 'QN', 'Quinine', '5', 'QN', 'Q', 'Quinine', 'Quinine', 'SID170465032', 'QI', 'QN', 'QN', 'quinine', 'QN', 'QN', 'QU', 'QN', 'Quinine', 'Quinine', '6, Quinine', 'quinine', '106', 'quinine', '3', 'QUININE', 'Quinine', 'Quinine', '1', 'Quinine', 'Quinine hemisulfate', 'Quinine hemisulfate', 'QUININE', 'SID144205942', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'COVC-3357657046', 'COVC-3899254644', 'Quinine', '36', 'Quinine', 'QUININE', '59', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'QN', '6', 'QN', '2; Q', 'QN', 'quinine', '1', '(-)-quinine', 'Quinine', 'Quinine', 'Quinine']
Records Name['(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol (quinine)', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', 'Quinine', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(1S,2S,4S,5R)-2-[(R)-Hydroxy-(6-methoxy-quinolin-4-yl)-methyl]-5-vinyl-1-azonia-bicyclo[2.2.2]octane', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', 'Quinine salt', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', 'quinine', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol (Quinine)', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', 'Quinine', 'quinine', 'Quinine', 'quinine', 'Quinine', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', 'Quinine', 'Quinine', 'Quinine', 'Quinine', 'Quinine', '6-methoxy-4-quinolyl-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl-R-methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol', 'Quinine', 'quinine', 'quinine', 'quinine', '(R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol (9-epiquinine)', 'quinine', '(1R)-(6-methoxyquinolin-4-yl)(8-vinylquinuclidin-2-yl)methanol', 'quinine', 'quinine', 'quinine', '(R)-(6-methoxy-quinolin-4-yl)-((3S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-3-yl)-methanol', 'GNF-Pf-180', 'quinine', '(R)-(6-methoxy-quinolin-4-yl)-((2S,5S)-5-v
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure