CHEMBL380051


SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N
InChIKey OJPUSZQXDWHXOL-BIOLIVNTSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 678.4

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 6.86 6.86 6.86 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.37 6.37 6.37 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.61 6.61 6.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.15 7.15 7.15 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.17 7.17 7.17 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.41 7.41 7.41 ChEMBL