AF-906

Ligand id: 9538

Name: AF-906

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 122.75
Molecular weight 474.08
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol
Synonyms
compound 128 [PMID: 26686393] | Ro-51
Database Links
BindingDB Ligand 50257829
ChEMBL Ligand CHEMBL494161
PubChem CID 24883277
Search Google for chemical match using the InChIKey PAYROHWFGZADBR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PAYROHWFGZADBR
Search UniChem for chemical match using the InChIKey PAYROHWFGZADBR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PAYROHWFGZADBR
Comments
AF-906 is a potent and selective dual P2X3/P2X2/3 diaminopyrimidine antagonist [2].