CHEMBL4791306


SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
InChIKey AFDFLEMNTOCMSC-MREPYCEBSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 14
Rotatable bonds 18
Molecular weight (Da) 1099.6

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
MC3 MC3R Human Melanocortin A pKi 7.82 7.82 7.82 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.34 9.34 9.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pEC50 7.21 7.21 7.22 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.89 7.89 7.9 ChEMBL