CHEMBL4128532


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCNc1nc2c(s1)C=Cc1cc(Cl)ccc1C2c1cn(Cc2nc(C(=O)Nc3nnn[nH]3)cs2)c(=O)[nH]c1=S
InChIKey VRVJYJYBTMSOOF-KPKJPENVSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 24
Molecular weight (Da) 1241.3

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
P2Y2 P2RY2 Human P2Y A pKd 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database