PQR620

Ligand id: 10142

Name: PQR620

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 445.2
XLogP 2.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[4,6-bis(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
Synonyms
compound 3 [PMID: 30359003] | PQR-620
Comments
PQR620 is a potent and selective inhibitor of mTORC1/2 mTOR-containing complexes that was developed by PIQUR Therapeutics [2]. It is brain-penetrating and is being analysed for clinical potential in neurological disorders and cancer. PQR620 was designed as a more effective alternative to the rapalogs sirolimus, everolimus and temsirolimus which show only modest overall response rates in solid tumours [1]. Chemically PQR620 is a rationally designed derivative of bimiralisib (PQR309), in which bimiralisib's trifluoromethyl group is substituted by a difluoromethyl group, and its morpholino groups are substituted with oxo-azabicyclo moieties.
Database Links
GtoPdb PubChem SID 381118852
PubChem CID 121334520
Search Google for chemical match using the InChIKey UGDKPWVVBKHRDK-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey UGDKPWVVBKHRDK-UHFFFAOYSA-N
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