PSB-0739


SMILES [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na]
InChIKey QBLLYXXXOJUNCV-UHFFFAOYSA-L

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 609.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations P2Y12

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pKi 7.6 7.6 7.6 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKi 7.6 7.6 7.6 ChEMBL
P2Y12 P2Y12 Human P2Y A pKd 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pA2 9.8 9.8 9.8 Guide to Pharmacology