CHEMBL378446


SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N
InChIKey JMAZWXVWUNQOOV-IHUVGRGJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 15
Molecular weight (Da) 662.4

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 6.74 6.74 6.74 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.81 6.81 6.81 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.23 7.23 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.7 6.7 6.7 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.5 6.5 6.5 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.7 7.7 7.7 ChEMBL