talmapimod

Ligand id: 7817

Name: talmapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 65.86
Molecular weight 512.2
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
International Nonproprietary Names
INN number INN
8957 talmapimod
Synonyms
SCIO 469 hydrochloride | SCIO-469
Database Links
CAS Registry No. 309913-83-5
ChEMBL Ligand CHEMBL514201
PubChem CID 9871074
RCSB PDB Ligand 469
Search Google for chemical match using the InChIKey ZMELOYOKMZBMRB-DLBZAZTESA-N
Search Google for chemicals with the same backbone ZMELOYOKMZBMRB
Search PubMed clinical trials talmapimod
Search PubMed titles talmapimod
Search PubMed titles/abstracts talmapimod
Search UniChem for chemical match using the InChIKey ZMELOYOKMZBMRB-DLBZAZTESA-N
Search UniChem for chemicals with the same backbone ZMELOYOKMZBMRB
SynPHARM 80639 (in complex with mitogen-activated protein kinase 14)
Comments
Talmapimod is an orally bioavailable, investigational small-molecule p38 mitogen-activated protein kinase (MAPK) inhibitor with potential immunomodulating, anti-inflammatory, and antineoplastic activities.