pamapimod

Ligand id: 9915

Name: pamapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 109.5
Molecular weight 406.15
XLogP 3.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
International Nonproprietary Names
INN number INN
8796 pamapimod
Synonyms
compound 2b [PMID: 21375264] | Ro 4402257 | Ro-4402257 | Ro4402257
Comments
Pamapimod is an ATP-competitive (Type I), orally bioavailable and highly selective inhibitor of p38α mitogen-activated protein kinase (MAPK14), that was developed for immunomodulatory potential [4].
Database Links
BindingDB Ligand 50314070
CAS Registry No. 449811-01-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL1090089
GtoPdb PubChem SID 363894209
PubChem CID 16220188
RCSB PDB Ligand FLW
Search Google for chemical match using the InChIKey JYYLVUFNAHSSFE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JYYLVUFNAHSSFE
Search PubMed clinical trials pamapimod
Search PubMed titles pamapimod
Search PubMed titles/abstracts pamapimod
Search UniChem for chemical match using the InChIKey JYYLVUFNAHSSFE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JYYLVUFNAHSSFE
SynPHARM 85089 (in complex with mitogen-activated protein kinase 14)