compound 33 [PMID: 19908842]

Ligand id: 8874

Name: compound 33 [PMID: 19908842]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 79.42
Molecular weight 336.07
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)purine-2-carbonitrile
Database Links
ChEMBL Ligand CHEMBL578159
PubChem CID 44143089
Search Google for chemical match using the InChIKey VMJFQUMKCMNFSX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VMJFQUMKCMNFSX
Search UniChem for chemical match using the InChIKey VMJFQUMKCMNFSX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VMJFQUMKCMNFSX
Comments
Compound 33 was developed in a study to identify anti-parasitic compounds which are inhibitors of Trypanosomal cysteine proteases [1]. The lead compounds were tetsed against a panel of human proteases to assess selectivity.