compound 5c [PMID: 27894870]

Ligand id: 9495

Name: compound 5c [PMID: 27894870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 77.57
Molecular weight 375.13
XLogP 7.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-({[7-(naphthalen-2-yl)-1-benzothiophen-2-yl]methyl}amino)butanoic acid
Database Links
GtoPdb PubChem SID 329968435
PubChem CID 124221654
Search Google for chemical match using the InChIKey XDCOYBQVEVSNNB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XDCOYBQVEVSNNB
Search UniChem for chemical match using the InChIKey XDCOYBQVEVSNNB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XDCOYBQVEVSNNB
Comments
Compound 5c [PMID: 27894870] is a sphingosine-1-phosphate 4 receptor agonist with favourable selectivity for S1P4R over the other S1P receptors [1].