regrelor


SMILES CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O
InChIKey NXHAXEBZOXCDKD-XIXRRVGJSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 532.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

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
P2Y12 P2Y12 Human P2Y A pIC50 7.95 7.95 7.95 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pIC50 7.8 7.8 7.8 ChEMBL