CHEMBL4567961


SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)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 ZMBJSZYTIJFURY-YVHASNINSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 8
Rotatable bonds 15
Molecular weight (Da) 784.2

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
MC4 MC4R Mouse Melanocortin A pKd 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 7.75 7.75 7.75 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 9.0 9.0 9.0 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 7.29 7.29 7.29 ChEMBL