MRS2698


SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1N)n1ccc(=O)[nH]c1=S
InChIKey UWTUUIWWVPWHAA-XVFCMESISA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 8
Molecular weight (Da) 499.0

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
P2Y4 P2RY4 Human P2Y A pEC50 5.62 5.62 5.62 ChEMBL
P2Y2 P2RY2 Human P2Y A pEC50 8.1 8.1 8.1 ChEMBL
P2Y2 P2RY2 Human P2Y A pEC50 8.1 8.1 8.1 Guide to Pharmacology