CHEMBL377210


SMILES NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N
InChIKey MNJTTYMJKZNPFK-WXIAYYLYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 587.3

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 5.8 5.8 5.8 ChEMBL
MC3 MC3R Human Melanocortin A pKi 4.54 4.54 4.54 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.09 5.09 5.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.28 6.28 6.28 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.53 5.53 5.53 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.79 5.79 5.79 ChEMBL