General
Preferred name
Bimiralisib
Synonyms
5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine ()
PQR309 ()
PI3K-IN-2 ()
PQR-309 ()
Bimiralisib (PQR309) ()
NC-B5 ()
NCB5 ()
P&D ID
PD049358
CAS
1225037-39-7
Tags
available
drug candidate
Drug indication
Squamous head and neck cell carcinom
Glioblastoma multiforme
Pain
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 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 .
DESCRIPTION Bimiralisib (PQR309) is a potent, brain-penetrant, orally bioavailable, pan-class I PI3K/mTOR inhibitor with IC50s of 33 nM, 451 nM, 661 nM, 708 nM and 89 nM for PI3K¦Á, PI3K¦Ä, PI3K¦Â, PI3K¦Ã and mTOR, respectively. Bimiralisib is an mTORC1 and mTORC2 inhibitor.
PRICE 102
DESCRIPTION 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 . (GtoPdb)
DESCRIPTION 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. (PKIDB)
DESCRIPTION Bimiralisib (PI3K-IN-2) is an orally bioavailable pan inhibitor of PI3K and inhibitor of the mTOR, with potential antineoplastic activity. PI3K-IN-2 inhibits the PI3K kinase isoforms alpha, beta, gamma and delta and, to a lesser extent, mTOR kinase, which may result in tumor cell apoptosis and growth inhibition in cells overexpressing PI3K/mTOR. Activation of the PI3K/mTOR pathway promotes cell growth, survival, and resistance to both chemotherapy and radiotherapy. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
12
AdooQ Bioactive Compound Library
A15992
Cayman Chemical Bioactives
23441
ChEMBL Drugs
CHEMBL4084907
Drug Repurposing Hub
DrugBank
DB14846
DrugMAP
DMMCYZ8
Guide to Pharmacology
8383
MedChem Express Bioactive Compound Library
HY-12868
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
pqr309-bimiralisib
TargetMol Bioactive Compound Library
T2265
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
411.16
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
1.21
TPSA
102.52
Fraction CSP3
0.53
Chiral centers
0.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
PI3K inhibitor
Pathway
MAPK
PI3K/Akt/mTOR signaling
PI3K/Akt/mTOR
Target
MTOR
PI3K
mTOR,PI3K
PI3Kα
PI3Kβ
PI3Kγ
PI3Kδ
pPKB
pS6
Source data