MRE 3008F20


SMILES CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC
InChIKey CJRNHKSLHHWUAB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 432.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pKd 8.2 8.2 8.2 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKd 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y11 P2Y11 Human P2Y A pEC50 8.52 8.52 8.52 Guide to Pharmacology
P2Y11 P2Y11 Human P2Y A pEC50 5.82 5.82 5.82 ChEMBL
P2Y12 P2Y12 Human P2Y A pEC50 8.89 8.89 8.89 ChEMBL
P2Y12 P2Y12 Human P2Y A pIC50 8.6 8.6 8.6 ChEMBL