GDC0084

Ligand id: 10097

Name: GDC0084

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 117.1
Molecular weight 382.19
XLogP 1.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine
Synonyms
compound 16 [PMID: 27096040] | GDC-0084 | paxalisib (proposed INN)
Comments
GDC0084 is a dual PI3K/mTOR inhibitor that was developed by Genentech [1]. It was designed to cross the blood-brain-barrier as a potential drug for the treatment of gliomas.
Database Links
BindingDB Ligand 50177662
CAS Registry No. 1382979-44-3 (source: PubChem)
ChEMBL Ligand CHEMBL3813842
GtoPdb PubChem SID 381118807
PubChem CID 57384863
Search Google for chemical match using the InChIKey LGWACEZVCMBSKW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LGWACEZVCMBSKW
Search UniChem for chemical match using the InChIKey LGWACEZVCMBSKW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LGWACEZVCMBSKW