ticagrelor


SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO
InChIKey OEKWJQXRCDYSHL-FNOIDJSQSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 522.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations P2Y12

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
SMO SMO Human Frizzled F pIC50 8.3 8.3 8.3 Guide to Pharmacology
SMO SMO Human Frizzled F pIC50 8.08 8.08 8.08 Drug Central
SMO SMO Mouse Frizzled F pIC50 8.08 8.08 8.08 Drug Central
SMO SMO Mouse Frizzled F pIC50 8.3 8.3 8.3 ChEMBL