CHEMBL211798


SMILES N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1
InChIKey LKXMYEXGCGGDSC-GOGZTAQTSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 613.3

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 6.2 6.2 6.2 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.41 5.41 5.41 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.86 5.86 5.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.41 6.41 6.41 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.75 5.75 5.75 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.54 6.54 6.54 ChEMBL