CHEMBL4852476


SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
InChIKey GQIQWHJELWBNLI-YXOGWZJSSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 20
Molecular weight (Da) 813.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pKd 5.9 6.1 6.3 ChEMBL
MC5 MC5R Mouse Melanocortin A pKi 5.89 6.09 6.3 ChEMBL
MC1 MSHR Mouse Melanocortin A pKd 6.2 6.45 6.7 ChEMBL
MC1 MSHR Mouse Melanocortin A pKi 6.2 6.45 6.7 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 7.7 7.95 8.2 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 7.7 7.95 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 5.46 5.46 5.46 ChEMBL