PF-4708671

Ligand id: 8036

Name: PF-4708671

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 60.94
Molecular weight 390.18
XLogP 3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-1H-benzimidazole
Synonyms
PF4708671
Database Links
CAS Registry No. 1255517-76-0
ChEMBL Ligand CHEMBL2134202
PubChem CID 51371303
RCSB PDB Ligand 5FI
Search Google for chemical match using the InChIKey FBLPQCAQRNSVHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FBLPQCAQRNSVHB
Search UniChem for chemical match using the InChIKey FBLPQCAQRNSVHB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FBLPQCAQRNSVHB
SynPHARM 81034 (in complex with ribosomal protein S6 kinase B1)
Comments
PF-4708671 [1] is an inhibitor that can be used as a tool compound to study the activity of the AGC family protein kinase RPS6KB1 (p70S6K). PF-4708671 has some off-target activity against MSK1.