CHEMBL329586


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey PEOUPURBSIPXLE-KRCBVYEFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 10
Rotatable bonds 19
Molecular weight (Da) 711.4

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
MC1 MSHR Human Melanocortin A pKi 7.37 7.37 7.37 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.68 6.68 6.68 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.06 7.06 7.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.46 8.46 8.46 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.15 7.15 7.15 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.69 7.69 7.69 ChEMBL