SB220025

Ligand id: 6038

Name: SB220025

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 81.65
Molecular weight 338.17
XLogP 2.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
Synonyms
3erk | SB-220025
Database Links
CAS Registry No. 165806-53-1
ChEMBL Ligand CHEMBL274064
DrugBank Ligand DB04338
PubChem CID 5164
RCSB PDB Ligand SB4
Search Google for chemical match using the InChIKey VSPFURGQAYMVAN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VSPFURGQAYMVAN
Search UniChem for chemical match using the InChIKey VSPFURGQAYMVAN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VSPFURGQAYMVAN
SynPHARM 80561 (in complex with mitogen-activated protein kinase 14)
Comments
SB220025 cell-permeable, potent, reversible, ATP-competitive, and specific inhibitor of human p38 MAP kinases [4].