CHEMBL380120


SMILES CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCCN=C(N)N
InChIKey VXVQZXYFPLAEJW-NLSYYIHOSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 628.3

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 8.05 8.05 8.05 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.64 7.64 7.64 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 8.1 8.1 8.1 ChEMBL