CHEMBL1162165


SMILES O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@H]34)[C@@H]3OC(Cc4ccccc4)O[C@@H]32)c(=O)[nH]1
InChIKey ISPAXDCHSNKLAS-HWRQHDFZSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 994.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y2 P2RY2 Human P2Y A pEC50 4.84 4.84 4.84 ChEMBL
P2Y12 P2Y12 Human P2Y A pIC50 5.74 5.74 5.74 ChEMBL