CHEMBL3618198


SMILES O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIKey JNQJEJOYNMPQBZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 517.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 6.91 6.91 6.91 ChEMBL
S1P2 S1PR2 Rat Lysophospholipid (S1P) A pIC50 7.85 7.85 7.85 ChEMBL