CHEMBL3401386


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 563.3

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 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 7.57 8.04 8.52 ChEMBL