compound 27d [PMID: 28231433]

Ligand id: 10218

Name: compound 27d [PMID: 28231433]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 61.8
Molecular weight 416.21
XLogP 4.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(R)-N-(3-((4-((2-(Hydroxymethyl)pyrrolidin-1-yl)methyl)benzyl)oxy)phenyl)benzamide
Comments
Compound 27d is a sphingosine kinase inhibitor with selectivity for the SK2 isozyme [1].
Database Links
GtoPdb PubChem SID 381744900
Search Google for chemical match using the InChIKey OHVIRCSJFFPEGC-XMMPIXPASA-N
Search Google for chemicals with the same backbone OHVIRCSJFFPEGC
Search UniChem for chemical match using the InChIKey OHVIRCSJFFPEGC-XMMPIXPASA-N
Search UniChem for chemicals with the same backbone OHVIRCSJFFPEGC