CHEMBL3966157


SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
InChIKey JQDBJPQYLBLUNL-ZVFKCXBBSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 12
Rotatable bonds 17
Molecular weight (Da) 969.5

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 8.52 8.52 8.52 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.73 6.73 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.74 9.74 9.74 ChEMBL