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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations P2Y12

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pKi 8.274999999999999 8.27 8.27 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKi 7.85 8.27 8.7 ChEMBL
P2Y12 P2Y12 Human P2Y A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pKB 8.59 8.59 8.59 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pIC50 5.29 6.97 8.3 ChEMBL
P2Y12 P2Y12 Rat P2Y A pIC50 8.27 8.27 8.27 Drug Central
P2Y13 P2Y13 Human P2Y A pIC50 5.85 5.85 5.85 ChEMBL
P2Y12 P2Y12 Rat P2Y A pIC50 5.38 5.38 5.38 ChEMBL