CHEMBL448337


SMILES CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
InChIKey BUTABXHVJVEFTF-RTOKGZNSSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 623.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 6.2 6.2 6.2 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.67 6.67 6.67 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.41 6.41 6.41 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.01 6.01 6.01 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.6 7.6 7.6 ChEMBL