bimiralisib

Ligand id: 8383

Name: bimiralisib

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
International Nonproprietary Names
INN number INN
10519 bimiralisib
Synonyms
PQR-309 | PQR309
Comments
Bimiralisib (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 claimed in patent WO-2010052569-A2, where it is compound 54 (in structure tables) and Example P11 [1].
Database Links
GtoPdb PubChem SID 252166595
PubChem CID 58507717
RCSB PDB Ligand A3W
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