FORETINIB


SMILES COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1
InChIKey CXQHYVUVSFXTMY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 632.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SMO SMO Human Oxysterol F pKi 7.17 7.2 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR183 GP183 Human Orphan A pIC50 5.43 5.43 5.43 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.46 5.46 5.46 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.39 5.39 5.39 ChEMBL
apelin APJ Human Apelin A pIC50 5.35 5.35 5.35 ChEMBL
FPR1 FPR1 Human Formylpeptide A pIC50 5.32 5.32 5.32 ChEMBL