CHEMBL4281479


SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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(=O)O)[C@@H](C)O)C(C)C
InChIKey SSJGXNSABQPEKM-SBUIBGKBSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
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 9.1 9.1 9.1 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 9.3 9.3 9.3 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 9.6 9.6 9.6 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 9.89 9.89 9.9 ChEMBL
Y1 NPY1R Mouse Neuropeptide Y A pKi 9.46 9.46 9.46 PDSP Ki database
Y5 NPY5R Mouse Neuropeptide Y A pKi 8.26 8.26 8.26 PDSP Ki database
Y1 NPY1R Human Neuropeptide Y A pKi 8.7 8.7 8.7 PDSP Ki database
Y2 NPY2R Human Neuropeptide Y A pKi 8.68 8.68 8.68 PDSP Ki database
Y5 NPY5R Human Neuropeptide Y A pKi 9.0 9.0 9.0 PDSP Ki database
Y2 NPY2R Mouse Neuropeptide Y A pKi 9.15 9.15 9.15 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Mouse Neuropeptide Y A pEC50 6.1 6.1 6.1 ChEMBL
Y5 NPY5R Mouse Neuropeptide Y A pEC50 9.3 9.3 9.3 ChEMBL
Y4 NPY4R Human Neuropeptide Y A pEC50 8.4 8.4 8.4 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pEC50 8.8 8.8 8.8 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pEC50 9.1 9.1 9.1 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pEC50 10.0 10.0 10.0 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pIC50 7.92 7.92 7.92 ChEMBL