CHEMBL3401383


SMILES CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1
InChIKey XWGOCGLJLLJAOE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 549.3

Drug properties

Molecular type Small molecule
Physiological/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 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 7.41 7.92 8.43 ChEMBL
S1P2 S1PR2 Rat Lysophospholipid (S1P) A pIC50 8.32 8.32 8.32 ChEMBL