PLX8394

Ligand id: 9131

Name: PLX8394

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 129.32
Molecular weight 542.13
XLogP 2.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(R)-N-(3-(5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-3-fluoropyrrolidine-1-sulfonamide
Synonyms
PLX 8394 | PLX-8394
Database Links
PubChem CID 90116675
Search Google for chemical match using the InChIKey YYACLQUDUDXAPA-MRXNPFEDSA-N
Search Google for chemicals with the same backbone YYACLQUDUDXAPA
Search UniChem for chemical match using the InChIKey YYACLQUDUDXAPA-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone YYACLQUDUDXAPA
Comments
PLX8394 is an investigational orally available, next-generation small molecule RAF inhibitor [2]. It has potential antineoplastic activity. Structurally, PLX8394 is similar to the first-generation BRAF inhibitor vemurafenib. PLX8394 inhibits wild-type and mutated forms of BRAF. PLX8394 and compounds like it have been termed 'paradox breakers' as they are designed to inhibit mutant BRAF kinase activity without activating the MAPK pathway in cells bearing upstream activation, as many of the original BRAF inhibitors are prone to do. PLX8394 is one of the compounds claimed in patent WO2014194127 [1], although as the images are unavailable or redacted it is impossible to precisely identify the structure in the patent documentation.