CHEMBL4565367


SMILES CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey ZJAPTWLOYMLZGR-WTBBZCIKSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 10
Rotatable bonds 12
Molecular weight (Da) 976.5

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
MC5 MC5R Mouse Melanocortin A pKd 6.3 6.3 6.3 ChEMBL
MC3 MC3R Mouse Melanocortin A pKd 6.1 6.1 6.1 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 7.5 7.5 7.5 ChEMBL
MC4 MC4R Human Melanocortin A pKd 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pIC50 5.57 5.57 5.57 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 5.1 5.1 5.1 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 5.0 5.0 5.0 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 8.09 8.09 8.09 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.49 7.49 7.49 ChEMBL