Ligand Data

Ligand

id 100825
Name CHEMBL289036
SMILES Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)NC(Cc1ccccc1)C(N)=O
InChIKey KVGUDDLSFDAMQV-WQNMWPLOSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 8
Rotatable bonds 20
Molecular weight 796.4


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCK1 CCKAR Guinea pig Cholecystokinin A (Rhodopsin) 749 749 749