compound 16 [PMID: 26794040]


SMILES Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C
InChIKey WCDFXVWDGHHCSI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 550.2

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
S1P2 S1PR2 Human Lysophospholipid (S1P) A pKd 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 8.09 8.09 8.09 Guide to Pharmacology
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 6.3 7.2 8.09 ChEMBL