CHEMBL4456247


SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)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](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIKey HHGDUTJHZKFJND-IVCMQURDSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 30
Rotatable bonds 55
Molecular weight (Da) 1705.0

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 8.7 9.26 9.74 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 5.82 5.82 5.82 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 6.08 6.08 6.08 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pIC50 7.9 7.9 7.9 ChEMBL
Y4 NPY4R Human Neuropeptide Y A pEC50 8.16 8.41 8.8 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pIC50 6.44 6.44 6.44 ChEMBL