851
ANTIPARASITIC
ANTIMALARIAL
ANTIMETABOLITES
DIHYDROFOLATE REDUCTASE INHIBITOR
ORAL
Tmax 3.5 HOUR
VD 2059 LITER
Cl 67.9 LITER / HOUR
PPB 75 PERCENT
t1/2 16.5 HOUR
SPARINGLY SOLUBLE IN WATER
TARGET DIHYDROFOLATE REDUCTASE
Bifunctional dihydrofolate reductase-thymidylate synthase UNIPROT P13922
Formula:
C11H16ClN5
Calculated chemical properties:
NB_atoms 17
XLogP 1.79
PSA 71.021
NB_HD 5
NB_HA 5
fsp3 0.27
Lipinski(0=no;1=yes) 1
NDA 021078 (label) INN (ATOVAQUONE ; PROGUANIL HYDROCHLORIDE) MALARONE (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 2000
NDA 091211 (pdf not found) INN (ATOVAQUONE ; PROGUANIL HYDROCHLORIDE) ATOVAQUONE AND PROGUANIL HYDROCHLORIDE (GLENMARK PHARMS LTD) APPROVAL= AP YEAR= 2011
NDA 202362 (pdf not found) INN (ATOVAQUONE ; PROGUANIL HYDROCHLORIDE) ATOVAQUONE AND PROGUANIL HYDROCHLORIDE (MYLAN) APPROVAL= AP YEAR= 2014
1650
ANTIPARASITIC
ANTIMALARIAL
ANTIMETABOLITES
DIHYDROFOLATE REDUCTASE INHIBITOR
-
Tmax 5 HOUR
t1/2 19 HOUR
PDB
3UM8 (WILD-TYPE PLASMODIUM FALCIPARUM DHFR-TS COMPLEXED WITH CYCLOGUANIL AND NADPH)
Ligand code = 1CY (link to the list of PDB complexes)
Download experimental 3D coordinates of 1CY with added hydrogens
Bifunctional dihydrofolate reductase-thymidylate synthase UNIPROT P13922
Formula:
C11H14ClN5
Calculated chemical properties:
NB_atoms 17
XLogP 1.53
PSA 71.874
NB_HD 4
NB_HA 5
fsp3 0.27
Lipinski(0=no;1=yes) 1
-