neflamapimod

Ligand id: 5719

Name: neflamapimod

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
International Nonproprietary Names
INN number INN
10527 neflamapimod
Synonyms
VD-31745 | VRT-031745 | VX 745 | VX-745
Database Links
CAS Registry No. 209410-46-8
ChEMBL Ligand CHEMBL119385
GtoPdb PubChem SID 178102345
PubChem CID 3038525
RCSB PDB Ligand 52P
Search Google for chemical match using the InChIKey VEPKQEUBKLEPRA-UHFFFAOYSA-N
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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
Neflamapimod (VX-745) is an ATP-competitive inhibitor of mitogen-activated protein kinase p38α [4,6] that was originally assessed in preclinical investigations for antiarthritic/antiinflammatory activity. More recently the compound is being repurposed since the p38α mechanism may modulate Alzheimer's specific inflammatory processes [2].