CHEMBL3098249


SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(O)CO)[C@@H](O)[C@H]3O)c2n1
InChIKey PDKXOVMOLXKMOG-HRXYOTLZSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 552.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

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
P2Y12 P2Y12 Rat P2Y A pIC50 6.83 6.83 6.83 ChEMBL