pamapimod   Click here for help

GtoPdb Ligand ID: 9915

Synonyms: compound 2b [PMID: 21375264] | Ro 4402257 | Ro-4402257 | Ro4402257
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 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].
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO
Isomeric SMILES OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO
InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8796 pamapimod
Synonyms Click here for help
compound 2b [PMID: 21375264] | Ro 4402257 | Ro-4402257 | Ro4402257
Database Links Click here for help
BindingDB Ligand 50314070
CAS Registry No. 449811-01-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL1090089
GtoPdb PubChem SID 363894209
PubChem CID 16220188
Search Google for chemical match using the InChIKey JYYLVUFNAHSSFE-UHFFFAOYSA-N
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Search PubMed clinical trials pamapimod
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SynPHARM 85089 (in complex with mitogen-activated protein kinase 14)
UniChem Compound Search for chemical match using the InChIKey JYYLVUFNAHSSFE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JYYLVUFNAHSSFE-UHFFFAOYSA-N