CHEMBL210011


SMILES N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1
InChIKey AIBOPTDBFGOAQA-ZELYBYEASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 584.3

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 6.9 6.9 6.9 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.9 5.9 5.9 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.55 7.55 7.55 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.54 6.54 6.54 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.27 7.27 7.27 ChEMBL