CHEMBL4475071


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-ODXRWUIZSA-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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pKi 7.77 8.21 8.64 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 5.68 5.68 5.68 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 6.02 6.02 6.02 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pIC50 7.16 7.16 7.16 ChEMBL
Y4 NPY4R Human Neuropeptide Y A pEC50 7.08 7.52 7.75 ChEMBL