XL388

Ligand id: 7973

Name: XL388

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 110.97
Molecular weight 455.13
XLogP 2.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone
Synonyms
XL-388
Database Links
CAS Registry No. 1251156-08-7
ChEMBL Ligand CHEMBL2333365
PubChem CID 59604787
Search Google for chemical match using the InChIKey LNFBAYSBVQBKFR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LNFBAYSBVQBKFR
Search UniChem for chemical match using the InChIKey LNFBAYSBVQBKFR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LNFBAYSBVQBKFR
Comments
XL388 is a highly potent, selective, ATP-competitive inhibitor of mTOR. Its discovery is described in [1], where it is compound 28.