Rec 15/3079


SMILES COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1
InChIKey HVMKWKIPLGPYAR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 466.3

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 pKi 9.2 9.2 9.2 Guide to Pharmacology
P2Y1 P2RY1 Human P2Y A pKd 7.3 7.3 7.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y12 P2Y12 Human P2Y A pIC50 7.5 8.55 9.6 Guide to Pharmacology
P2Y13 P2Y13 Human P2Y A pIC50 9.0 9.0 9.0 Guide to Pharmacology
P2Y1 P2RY1 Human P2Y A pIC50 5.4 6.2 7.0 Guide to Pharmacology
P2Y1 P2RY1 Rat P2Y A pEC50 7.0 7.0 7.0 ChEMBL
P2Y1 P2RY1 Human P2Y A pEC50 4.76 7.52 8.9 ChEMBL
P2Y1 P2RY1 Human P2Y A pIC50 6.44 7.09 7.66 ChEMBL