CHEMBL439122


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC
InChIKey QHUWIYRYNYUDLJ-CDTCBKJLSA-N

Chemical properties

Hydrogen bond acceptors 30
Hydrogen bond donors 32
Rotatable bonds 73
Molecular weight (Da) 2220.2

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
Y5 NPY5R Human Neuropeptide Y A pKi 5.89 5.89 5.9 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pKi 7.89 8.26 9.0 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pKi 6.4 6.46 6.58 ChEMBL
Y4 NPY4R Human Neuropeptide Y A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database