e-Drug3D
61
cas 86-42-0
CLASS
ANTIPARASITIC
ANTIMALARIALS
ROUTE (list)
ORAL
PK parameters
Tmax 1.46 HOUR
VD 46200 LITER
Cl 2380 LITER / HOUR
t1/2 12.4 HOUR
-
PDB
4FGZ (CRYSTAL STRUCTURE OF PHOSPHOETHANOLAMINE METHYLTRANSFERASE FROM PLASMODIUM FALCIPARUM IN COMPLEX WITH AMODIAQUINE)
Ligand code = CQA (link to the list of PDB complexes)
Download experimental 3D coordinates of CQA with added hydrogens
Unknown
Formula:
C20H22ClN3O
Calculated chemical properties:
MW 355.86
NB_atoms 25
XLogP 5.18
PSA 47.53
NB_HD 2
NB_HA 4
fsp3 0.25
Lipinski(0=no;1=yes) 0
NB_atoms 25
XLogP 5.18
PSA 47.53
NB_HD 2
NB_HA 4
fsp3 0.25
Lipinski(0=no;1=yes) 0
FDA
NDA 006441 (pdf not found) INN (AMODIAQUINE HYDROCHLORIDE) CAMOQUIN HYDROCHLORIDE (PARKE DAVIS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 006441 (pdf not found) INN (AMODIAQUINE HYDROCHLORIDE) CAMOQUIN HYDROCHLORIDE (PARKE DAVIS) APPROVAL= - YEAR= 0 DISCONTINUED