cangrelor


SMILES CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
InChIKey PAEBIVWUMLRPSK-IDTAVKCVSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 7
Rotatable bonds 15
Molecular weight (Da) 774.9

Drug properties

Molecular type Small molecule
Physiological/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
P2Y12 P2Y12 Human P2Y A pIC50 8.7 8.7 8.7 Guide to Pharmacology
P2Y13 P2Y13 Human P2Y A pIC50 8.3 8.3 8.3 Guide to Pharmacology
GPR17 GPR17 Mouse A orphans A pIC50 8.92 8.92 8.92 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pIC50 7.74 9.02 9.4 ChEMBL
P2Y12 P2Y12 Human P2Y A pIC50 8.06 8.06 8.06 Drug Central
P2Y13 P2Y13 Human P2Y A pIC50 8.08 8.08 8.08 Drug Central
GPR17 GPR17 Mouse A orphans A pIC50 8.05 8.05 8.05 Drug Central
GPR17 GPR17 Human A orphans A pIC50 9.15 9.15 9.15 ChEMBL