Ligand Data

Ligand

id 105010
Name CHEMBL3325643
SMILES CCCC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CN(C4=C3C=C(C=C4)C)CC(=O)N5CCCN(CC5)C)C
InChIKey MAEJHLCDEPWOPH-UHFFFAOYSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 554.7


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
P2Y12 p2y12_human Human P2Y receptors Class A (Rhodopsin) 95.0 95.0 95.0
P2Y12 p2y12_rat Rat P2Y receptors Class A (Rhodopsin) 600.0 600.0 600.0