MRS2500


SMILES CNc1nc(I)nc2c1ncn2[C@H]1C[C@@H]([C@]2([C@@H]1C2)COP(=O)(O)O)OP(=O)(O)O
InChIKey NMVWLEUONAKGCD-SMWKGLLFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 561.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4XNW

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pKi 9.11 9.11 9.11 ChEMBL
P2Y1 P2RY1 Human P2Y A pKi 8.8 8.95 9.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pIC50 8.08 8.08 8.08 ChEMBL