CHEMBL3799563


SMILES N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey AQJDAJIMJIJQME-RUPCYPOASA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 12
Rotatable bonds 35
Molecular weight (Da) 961.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 8.41 8.41 8.41 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 6.15 6.15 6.15 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 7.6 7.6 7.6 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 7.51 7.51 7.51 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 6.54 6.54 6.54 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 7.73 7.73 7.73 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.85 7.77 8.7 ChEMBL