e-Drug3D

1650
CYCLOGUANIL


INN
CYCLOGUANIL

(is an active metabolite)

cas 516-21-2
CLASS

ANTIPARASITIC
ANTIMALARIAL
ANTIMETABOLITES
DIHYDROFOLATE REDUCTASE INHIBITOR
ROUTE (list)

-

ATC code

P01BB52
P01BB01
P01BB51
PK parameters

Tmax 5 HOUR
t1/2 19 HOUR

Target

TARGET DIHYDROFOLATE REDUCTASE

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

 DrugCentral

Bifunctional dihydrofolate reductase-thymidylate synthase UNIPROT P13922

 Download SDF file 1,3,5-Triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-

Formula:
C11H14ClN5

Calculated chemical properties:

MW 251.72
NB_atoms 17
XLogP 1.53
PSA 71.874
NB_HD 4
NB_HA 5
fsp3 0.27
Lipinski(0=no;1=yes) 1

FDA
-

 Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL