CHEMBL4454036


SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)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](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)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](C)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O
InChIKey WEYZCVINENRTEZ-CACADROISA-N

Chemical properties

Hydrogen bond acceptors 29
Hydrogen bond donors 35
Rotatable bonds 56
Molecular weight (Da) 2259.3

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 6.76 6.76 6.76 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 9.59 9.59 9.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pEC50 8.17 8.17 8.17 ChEMBL