e-Drug3D

937

QUININE

INN
QUININE

cas 130-95-0

CLASS

ANTIPARASITIC
ALKALOID
ANTIMALARIAL

ROUTE (list)

ORAL

NATURAL MOLECULE (link)

ATC code

P01BC01
M09AA72

PK parameters

F 82 PERCENT
Tmax 2.8 HOUR
VD 312 LITER (65 KILOGRAM)
Cl 11 LITER / HOUR (65 KILOGRAM)
PPB 80 PERCENT
t1/2 11 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER

Target

TARGET HEMOZOIN

PDB
4WNV (HUMAN CYTOCHROME P450 2D6 QUININE COMPLEX)

Ligand code = QI9 (link to the list of PDB complexes)

Download experimental 3D coordinates of QI9 with added hydrogens

DrugCentral

Unknown

Download SDF file

(R)-[(5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol

Formula:
C20H24N2O2

Calculated chemical properties:

MW 324.41
NB_atoms 24
XLogP 3.17
PSA 39.216
NB_HD 1
NB_HA 4
fsp3 0.45
Lipinski(0=no;1=yes) 1

FDA
NDA 021799 (label) INN (QUININE SULFATE) QUALAQUIN (SUN PHARM INDUSTRIES) APPROVAL= AP YEAR= 2005 DISCONTINUED
NDA 091661 (pdf not found) INN (QUININE SULFATE) QUININE SULFATE (TEVA PHARMS) APPROVAL= AP YEAR= 2012
NDA 202581 (pdf not found) INN (QUININE SULFATE) QUININE SULFATE (AUROBINDO PHARMA USA) APPROVAL= AP YEAR= 2012 DISCONTINUED
NDA 203112 (pdf not found) INN (QUININE SULFATE) QUININE SULFATE (LUPIN LTD) APPROVAL= AP YEAR= 2015
NDA 203729 (pdf not found) INN (QUININE SULFATE) QUININE SULFATE (AMNEAL PHARMS) APPROVAL= AP YEAR= 2015
NDA 204372 (pdf not found) INN (QUININE SULFATE) QUININE SULFATE (NOVAST LABS) APPROVAL= AP YEAR= 2015