CHEMBL212614


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O
InChIKey FJSKRKLUQFIKJP-HWFRFQLBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 16
Molecular weight (Da) 736.4

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 9.4 9.4 9.4 ChEMBL
MC3 MC3R Human Melanocortin A pKi 9.0 9.0 9.0 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 10.15 10.15 10.15 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.4 9.4 9.4 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.52 9.52 9.52 ChEMBL