Ticagrelor

Chemical Properties

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

Drug Properties

Type Small molecule
Endogenous No
Approved Yes
InChIKey OEKWJQXRCDYSHL-FNOIDJSQSA-N

Database Connections

External Links
Ligand site mutations P2Y12


Bioactivity

Receptor Experimental Data 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 pKB 8.59 8.59 8.59 Guide to Pharmacology
P2Y12 P2Y12 Rat P2Y A pIC50 5.38 5.38 5.38 ChEMBL
P2Y12 P2Y12 Human P2Y A pKi 7.85 8.27 8.7 ChEMBL
P2Y12 P2Y12 Human P2Y A pIC50 5.29 6.6 8.3 ChEMBL