CHEMBL467586


SMILES CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C
InChIKey CETOWTIWZXCWLA-WINIVTDRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 548.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pKi 7.89 7.89 7.89 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.8 6.8 6.8 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pIC50 6.54 6.54 6.54 ChEMBL