torin 2

Ligand id: 8839

Name: torin 2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 72.11
Molecular weight 432.12
XLogP 5.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
Synonyms
compound 3 [1] | Torin-2 | torin2
Database Links
CAS Registry No. 1223001-51-1 (source: PubChem)
ChEMBL Ligand CHEMBL1765602
PubChem CID 51358113
RCSB PDB Ligand 17G
Search Google for chemical match using the InChIKey GUXXEUUYCAYESJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GUXXEUUYCAYESJ
Search UniChem for chemical match using the InChIKey GUXXEUUYCAYESJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GUXXEUUYCAYESJ
SynPHARM 82891 (in complex with mechanistic target of rapamycin)
Comments
Torin 2 is reported as a potent and selective inhibitor of the serine/threonine kinase, mTOR (mechanistic target of rapamycin) [1].