CHEMBL453734


SMILES CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N
InChIKey RDQOUEKWQGRDRJ-ULNSLHSMSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 603.3

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 6.76 6.76 6.76 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.49 6.49 6.49 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.84 6.84 6.84 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.36 7.36 7.36 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.92 8.92 8.92 ChEMBL