CHEMBL439904


SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C
InChIKey AUHJXHCVECGTKR-DQNUUZSMSA-N

Chemical properties

Hydrogen bond acceptors 56
Hydrogen bond donors 61
Rotatable bonds 129
Molecular weight (Da) 4047.1

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7YON

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y5 NPY5R Human Neuropeptide Y A pKi 7.7 7.7 7.7 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 9.4 9.4 9.4 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pEC50 5.16 6.1 6.85 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pEC50 6.39 7.34 8.09 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pEC50 8.8 9.25 9.7 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pIC50 7.8 8.76 9.24 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pEC50 5.7 7.09 8.25 ChEMBL