CHEMBL213751


SMILES N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1
InChIKey GBTCAHLJDYHAKJ-JFQBCVLUSA-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
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 7.72 7.72 7.72 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.09 5.09 5.09 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.36 5.36 5.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.72 7.72 7.72 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.83 5.83 5.83 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.96 5.96 5.96 ChEMBL