dithiipin-1,1,4,4-tetroxide analogue 7


SMILES Cc1ccc(cc1)C1=CS(=O)(=O)CCCS1(=O)=O
InChIKey KZYCUCAZAITGMW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Molecular weight (Da) 286.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKi 6.09 6.09 6.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 6.16 6.16 6.16 ChEMBL