CHEMBL449050


SMILES CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC
InChIKey VTKKYXSRNMKYHV-ULNSLHSMSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 590.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 6.05 6.05 6.05 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.77 6.77 6.77 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.51 6.51 6.51 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.67 6.67 6.67 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.3 8.3 8.3 ChEMBL