CHEMBL413455


SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIKey LUFYXHLIXORPDM-NQONCEBISA-N

Chemical properties

Hydrogen bond acceptors 32
Hydrogen bond donors 32
Rotatable bonds 75
Molecular weight (Da) 2361.3

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 7.19 7.19 7.19 ChEMBL
Y5 NPY5R Human Neuropeptide Y A pKi 5.63 5.63 5.63 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 6.08 6.08 6.08 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 8.64 8.64 8.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database