AR-C67085


SMILES CCCSc1nc(N)c2c(n1)n(cn2)[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 ZLIAJZQKKBOFJR-WOUKDFQISA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 7
Rotatable bonds 11
Molecular weight (Da) 647.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pKd 8.2 8.2 8.2 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKd 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y11 P2Y11 Human P2Y A pEC50 8.52 8.52 8.52 Guide to Pharmacology
P2Y11 P2Y11 Human P2Y A pEC50 5.82 5.82 5.82 ChEMBL
P2Y12 P2Y12 Human P2Y A pIC50 8.6 8.6 8.6 ChEMBL
P2Y12 P2Y12 Human P2Y A pEC50 8.89 8.89 8.89 ChEMBL