CHEMBL3747820


SMILES Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1
InChIKey KOUKRRMOMXPYJA-HHHXNRCGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 13
Molecular weight (Da) 611.3

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
NPFF1 NPFF1 Human Neuropeptide FF/neuropeptide AF A pKi 6.2 6.2 6.2 ChEMBL
NPFF2 NPFF2 Human Neuropeptide FF/neuropeptide AF A pKi 5.92 5.92 5.92 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 9.25 9.36 9.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y1 NPY1R Human Neuropeptide Y A pIC50 8.37 9.17 9.71 ChEMBL