CHEMBL3787713


SMILES CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIKey WVXNDHVRQPRDRL-RQJUBWCJSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 29
Rotatable bonds 61
Molecular weight (Da) 1845.1

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 8.44 8.85 9.18 ChEMBL
Y4 NPY4R Human Neuropeptide Y A pKd 9.17 9.17 9.17 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 6.66 6.66 6.66 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.44 6.44 6.44 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pEC50 7.89 8.02 8.15 ChEMBL