BMS compound 16 [PMID:23368907]


SMILES O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F
InChIKey AHFLGPTXSIRAQK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 445.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4XNV

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pKi 6.92 6.92 6.92 Guide to Pharmacology
P2Y14 P2Y14 Human P2Y A pKi 5.46 5.46 5.46 ChEMBL
P2Y1 P2RY1 Human P2Y A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pIC50 5.68 6.56 7.54 ChEMBL