CHEMBL4102774


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)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey NVDGFOWDLBIVFD-ASDGIDEWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 11
Rotatable bonds 20
Molecular weight (Da) 791.3

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
MC4 MC4R Mouse Melanocortin A pKd 5.7 5.7 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 6.47 6.47 6.47 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 7.26 7.26 7.26 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 6.27 6.27 6.27 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 5.19 5.19 5.19 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 6.34 6.34 6.34 ChEMBL