CHEMBL3640923


SMILES O=C(O)[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1
InChIKey QBSRREIGENYGTO-NHCDEPBKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 570.2

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
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 8.18 8.18 8.18 ChEMBL