CHEMBL3966176


SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
InChIKey NPGINHVVWSGMMV-QAOZGKSNSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 19
Molecular weight (Da) 1002.4

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 9.46 9.46 9.46 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.27 6.27 6.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 10.6 10.6 10.6 ChEMBL