CHEMBL4076530


SMILES COCc1cc(-c2nc(-c3cccc(OCC(=O)O)c3)no2)ccc1-c1ccccc1C
InChIKey GWRVDONABPBFQU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 430.2

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
S1P3 S1PR3 Human Lysophospholipid (S1P) A pKi 5.98 5.98 5.98 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database