CHEMBL338594


SMILES CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1
InChIKey DOQXGQVRPIRXJG-KAYWLYCHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 595.2

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
MC1 MSHR Human Melanocortin A pKi 4.92 4.92 4.92 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.92 5.92 5.92 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.06 5.06 5.06 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pEC50 5.7 5.7 5.7 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.42 7.11 7.8 ChEMBL