CHEMBL4522438


SMILES CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIKey QJZDTDUMJIUCEP-NPVFWKKLSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 30
Rotatable bonds 57
Molecular weight (Da) 1761.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pKi 8.2 8.92 9.49 ChEMBL
Y4 NPY4R Human Neuropeptide Y A pKd 8.01 8.59 9.17 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 6.15 6.15 6.15 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 6.38 6.38 6.38 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pEC50 7.85 8.12 8.4 ChEMBL