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.
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