CHEMBL3747822


SMILES CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
InChIKey VQHNWOOVOKYJNL-HHHXNRCGSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 7
Rotatable bonds 15
Molecular weight (Da) 615.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5ZBQ

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPFF1 NPFF1 Human Neuropeptide FF/neuropeptide AF A pKi 6.0 6.0 6.0 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKd 9.85 10.25 10.59 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 9.51 9.81 10.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y1 NPY1R Human Neuropeptide Y A pIC50 8.12 9.34 10.0 ChEMBL