CHEMBL212976


SMILES N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1
InChIKey AEBQLEXRXNCRKU-LBFZIJHGSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 605.3

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 6.21 6.21 6.21 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.39 6.39 6.39 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.23 6.23 6.23 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.69 5.69 5.69 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.58 6.58 6.58 ChEMBL