CHEMBL86573


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey PRCMOLNMVBSDRO-LJWNLINESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 10
Rotatable bonds 19
Molecular weight (Da) 753.3

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
MC1 MSHR Human Melanocortin A pKi 7.2 7.2 7.2 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.27 6.27 6.27 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.19 8.19 8.19 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.92 6.92 6.92 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.65 7.65 7.65 ChEMBL