PQR309

Ligand id: 8383

Name: PQR309

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 102.52
Molecular weight 411.16
XLogP 0.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
Synonyms
bimiralisib (proposed INN)
Database Links
PubChem CID 58507717
Search Google for chemical match using the InChIKey ADGGYDAFIHSYFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ADGGYDAFIHSYFI
Search UniChem for chemical match using the InChIKey ADGGYDAFIHSYFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ADGGYDAFIHSYFI
Comments
PQR309 is a novel dual inhibitor of phosphoinositol 3-kinase (PI3K) and mechanistic target of rapamycin (mTOR) kinases, with expected utility as an anti-cancer agent (see AACR poster #2664, 2015).
The discovery of PQR309 is covered by patent WO-2010052569-A2, where it is compound 54 (in structure tables) and Example P11 [1].