CHEMBL451694


SMILES CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1
InChIKey GEDCOLLODBJRNS-ULNSLHSMSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 601.3

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 5.78 5.78 5.78 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.36 6.36 6.36 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.13 6.13 6.13 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.07 6.07 6.07 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.33 7.33 7.33 ChEMBL