compound 4 [PMID: 22984835]


SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O
InChIKey HPSHQEAEJMOGDO-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 599.3

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
P2Y12 P2Y12 Human P2Y A pKi 6.9 6.9 6.9 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database