CHEMBL209622


SMILES NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N
InChIKey MNJTTYMJKZNPFK-LAJGZZDBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 587.3

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
MC3 MC3R Human Melanocortin A pKi 6.08 6.08 6.08 ChEMBL
MC1 MSHR Human Melanocortin A pKi 6.99 6.99 6.99 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.73 6.73 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pEC50 8.0 8.0 8.0 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 8.37 8.37 8.37 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.1 8.1 8.1 ChEMBL