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 |