CHEMBL3787712


SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)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 NIPARCYTBXBSLE-WVRXEKPCSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 29
Rotatable bonds 59
Molecular weight (Da) 1789.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pKi 8.82 8.87 8.92 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.39 6.39 6.39 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 6.14 6.14 6.14 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 6.85 6.85 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pEC50 8.19 8.48 8.77 ChEMBL