CHEMBL568567
SMILES | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 |
InChIKey | BNUMOPVPBJTHOS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 488.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
P2Y12 | P2Y12 | Human | P2Y | A | pKi | 6.75 | 6.75 | 6.76 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |