cycloguanil

Ligand id: 10027

Name: cycloguanil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 80
Molecular weight 251.09
XLogP 2.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
International Nonproprietary Names
INN number INN
1527 cycloguanil embonate
Comments
Cycloguanil is an antifolate compound and a metabolite of the antimalarial drug proguanil.
The INN-assigned compound is formulated with pamoic acid.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 516-21-2 (source: Scifinder)
ChEBI CHEBI:135029
ChEMBL Ligand CHEMBL747
GtoPdb PubChem SID 375973215
PubChem CID 9049
RCSB PDB Ligand 1CY
Search Google for chemical match using the InChIKey QMNFFXRFOJIOKZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QMNFFXRFOJIOKZ
Search PubMed clinical trials cycloguanil embonate
Search PubMed titles cycloguanil embonate
Search PubMed titles/abstracts cycloguanil embonate
Search UniChem for chemical match using the InChIKey QMNFFXRFOJIOKZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QMNFFXRFOJIOKZ
Wikipedia Cycloguanil