CHEMBL379054


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O
InChIKey KYOVLZCJSUXUJI-NBRFXYHLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 16
Molecular weight (Da) 762.4

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 9.0 9.0 9.0 ChEMBL
MC3 MC3R Human Melanocortin A pKi 9.0 9.0 9.0 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.77 8.77 8.77 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.0 9.0 9.0 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.7 9.7 9.7 ChEMBL