VX-745

Ligand id: 5719

Name: VX-745

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 57.64
Molecular weight 435.99
XLogP 5.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one
Synonyms
VX 745
Database Links
CAS Registry No. 209410-46-8
ChEMBL Ligand CHEMBL119385
PubChem CID 3038525
RCSB PDB Ligand 52P
Search Google for chemical match using the InChIKey VEPKQEUBKLEPRA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VEPKQEUBKLEPRA
Search UniChem for chemical match using the InChIKey VEPKQEUBKLEPRA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VEPKQEUBKLEPRA
SynPHARM 81051 (in complex with mitogen-activated protein kinase 14)
Comments
VX-745 is an ATP-competitive inhibitor of mitogen-activated protein kinase p38α originally assessed in preclinical investigations for inflammation. More recently the compound is being repurposed since the 38 MAPK alpha mechanism may modulate Alzheimer's specific inflammatory processes. After in-licensing EIP Pharma started Phase 2 clinical trials for Alzheimer's in June 2015.