SB203580   Click here for help

GtoPdb Ligand ID: 5269

Synonyms: PB 203580 | RWJ 64809 | SB-203580
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SB203580 inhibits p38 MAPK enzymes, with some selectivity for p38α. The compound has been used to dissect the p38 signalling pathway and to determine the binding mode and differentiate functions between the four p38 MAP kinase homologues [4,6]. The hydrochloride salt is water-soluble.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 77.85
Molecular weight 377.1
XLogP 3.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C
Isomeric SMILES Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C
InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
InChI Key CDMGBJANTYXAIV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine
Synonyms Click here for help
PB 203580 | RWJ 64809 | SB-203580
Database Links Click here for help
CAS Registry No. 152121-47-6
ChEMBL Ligand CHEMBL10
GtoPdb PubChem SID 178101952
PubChem CID 176155
Search Google for chemical match using the InChIKey CDMGBJANTYXAIV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CDMGBJANTYXAIV
Search UniChem for chemical match using the InChIKey CDMGBJANTYXAIV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CDMGBJANTYXAIV
SynPHARM 78583 (in complex with mitogen-activated protein kinase 14)
Wikipedia SB_203580

Product suppliers

View disclaimer

Tocris
SB 203580
Cat. No. 1202