CHEMBL379168


SMILES N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1
InChIKey GBTCAHLJDYHAKJ-BOYZONONSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 632.3

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
MC1 MSHR Human Melanocortin A pKi 6.25 6.25 6.25 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.28 6.28 6.28 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.14 7.14 7.14 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.67 6.67 6.67 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.44 7.44 7.44 ChEMBL