CHEMBL4776915


SMILES CC(=O)N[C@H](CCCN)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
InChIKey YLVUKTHOPXMSDE-YAGLTGEFSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 15
Rotatable bonds 17
Molecular weight (Da) 1074.6

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
MC3 MC3R Human Melanocortin A pKi 8.43 8.43 8.43 ChEMBL
MC4 MC4R Human Melanocortin A pKi 10.38 10.38 10.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pIC50 5.29 5.29 5.29 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.3 7.3 7.3 ChEMBL