PF-543

Ligand id: 6623

Name: PF-543

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 75.22
Molecular weight 465.2
XLogP 5.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2R)-1-[(4-{3-[(benzenesulfonyl)methyl]-5-methylphenoxymethyl}phenyl)methyl]pyrrolidin-2-yl]methanol
Synonyms
PF 543 | sphingosine kinase 1 Inhibitor II
Database Links
CAS Registry No. 1415562-82-1 (source: Scifinder)
ChEMBL Ligand CHEMBL3134157
PubChem CID 66577038
RCSB PDB Ligand GYR
Search Google for chemical match using the InChIKey NPUXORBZRBIOMQ-RUZDIDTESA-N
Search Google for chemicals with the same backbone NPUXORBZRBIOMQ
Search UniChem for chemical match using the InChIKey NPUXORBZRBIOMQ-RUZDIDTESA-N
Search UniChem for chemicals with the same backbone NPUXORBZRBIOMQ
SynPHARM 78563 (in complex with sphingosine kinase 1)