CHEMBL208838


SMILES O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1
InChIKey BLLBAGSMDDITHA-IPHXSNPTSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 453.2

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
S1P5 S1PR5 Human Lysophospholipid (S1P) A pIC50 7.96 8.12 8.29 ChEMBL
S1P4 S1PR4 Human Lysophospholipid (S1P) A pIC50 6.1 6.8 7.5 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pIC50 5.96 6.06 6.16 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 8.92 9.01 9.1 ChEMBL