CHEMBL3918272


SMILES O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIKey DNSCHLXGOJZOFC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 463.3

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
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKi 8.15 8.15 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 6.63 6.63 6.63 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 8.54 8.54 8.54 ChEMBL