CHEMBL4083717


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
InChIKey GYPFKQQJLPOFKF-NFGXINMFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 10
Rotatable bonds 17
Molecular weight (Da) 803.3

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
MC4 MC4R Mouse Melanocortin A pKd 7.8 7.8 7.8 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 8.06 8.06 8.06 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 9.29 9.29 9.29 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 7.8 7.8 7.8 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 6.26 6.26 6.26 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 7.89 7.89 7.89 ChEMBL