e-Drug3D

121

cas 58-14-0

CLASS

ANTIPARASITIC
ANTIMALARIAL
FOLIC ACID ANTAGONISTS

ROUTE (list)

ORAL

PK parameters

Tmax 4 HOUR
VD 149.5 LITER (65 KILOGRAM)
Cl 0.2 LITER / HOUR (65 KILOGRAM)
PPB 90 PERCENT
t1/2 100 HOUR

TARGET DIHYDROFOLATE REDUCTASE

PDB
4KM0 (CRYSTAL STRUCTURE OF DIHYDROFOLATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PYRIMETHAMINE)

Ligand code = CP6 (link to the list of PDB complexes)

Download experimental 3D coordinates of CP6 with added hydrogens

MW 248.71
NB_atoms 17
XLogP 2.52
PSA 68.825
NB_HD 4
NB_HA 4
fsp3 0.17
Lipinski(0=no;1=yes) 1

FDA
NDA 008578 (label) INN (PYRIMETHAMINE) DARAPRIM (TILDE SCIENCES) APPROVAL= AP YEAR= 1953 NEWMOLECULARENTITY
NDA 018557 (label) INN (PYRIMETHAMINE ; SULFADOXINE) FANSIDAR (ROCHE) APPROVAL= AP YEAR= 1981 DISCONTINUED
NDA 207127 (pdf not found) INN (PYRIMETHAMINE) PYRIMETHAMINE (SANALUZ) APPROVAL= AP YEAR= 2020
NDA 211271 (pdf not found) INN (PYRIMETHAMINE) PYRIMETHAMINE (ALVOGEN) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 215506 (pdf not found) INN (PYRIMETHAMINE) PYRIMETHAMINE (TEVA PHARMS) APPROVAL= AP YEAR= 2021
NDA 216983 (pdf not found) INN (PYRIMETHAMINE) PYRIMETHAMINE (AUROBINDO PHARMA LTD) APPROVAL= AP YEAR= 2022