CHEMBL4102048


SMILES 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 IJUWOYISGCBYSL-GNDHHEKASA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 10
Rotatable bonds 11
Molecular weight (Da) 948.5

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 7.3 7.4 7.5 ChEMBL
MC3 MC3R Mouse Melanocortin A pKd 6.5 6.51 6.52 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 8.6 8.65 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pIC50 5.77 5.77 5.77 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 5.28 5.28 5.28 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 5.5 5.5 5.5 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 8.72 8.72 8.72 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 8.12 8.12 8.12 ChEMBL