CHEMBL448410


SMILES CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1
InChIKey DEMSFZJYAYNEHZ-ZRTHHSRSSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 629.3

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 7.0 7.0 7.0 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.81 6.81 6.81 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.16 7.16 7.16 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.36 7.36 7.36 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.05 9.05 9.05 ChEMBL