CHEMBL3787766


SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIKey LJIWUPHPKKONTE-ZCWJDUOTSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 28
Rotatable bonds 55
Molecular weight (Da) 1674.9

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pKi 8.13 8.3 8.46 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 6.55 6.55 6.55 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 5.77 5.77 5.77 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Y4 NPY4R Human Neuropeptide Y A pEC50 7.07 7.19 7.31 ChEMBL