CHEMBL3263071


SMILES CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccc(OC(F)(F)F)cc3)s1)c1c(O)ccc(Cl)c12
InChIKey DGBSPRGCPQRSAJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 643.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pIC50 7.89 8.54 9.2 ChEMBL