SB 202474   

GtoPdb Ligand ID: 6036

Synonyms: AG-J-84442
Compound class: Synthetic organic
Comment: SB 202474 is an inactive analogue of the p38 MAPK inhibitors SB202190 and SB203580.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 50.8
Molecular weight 279.14
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC
Isomeric SMILES CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC
InChI InChI=1S/C17H17N3O/c1-3-15-16(12-8-10-18-11-9-12)20-17(19-15)13-4-6-14(21-2)7-5-13/h4-11H,3H2,1-2H3,(H,19,20)
InChI Key MYKGURNPAUBQLJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[5-ethyl-2-(4-methoxyphenyl)-1H-imidazol-4-yl]pyridine
Synonyms
AG-J-84442
Database Links
CAS Registry No. 172747-50-1
ChEMBL Ligand CHEMBL278724
GtoPdb PubChem SID 178102658
PubChem CID 5162
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