SETMELANOTIDE


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O
InChIKey HDHDTKMUACZDAA-PHNIDTBTSA-N
Sequence None

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 17
Rotatable bonds 18
Molecular weight (Da) 1116.5

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 8.34 8.36 8.41 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.88 7.92 8.0 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.37 8.48 8.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Rat Melanocortin A pEC50 9.55 9.55 9.55 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 9.8 9.8 9.8 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 8.24 8.24 8.24 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.72 5.72 5.73 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.82 9.82 9.82 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 8.28 8.28 8.28 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.4 9.46 9.57 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 9.57 9.57 9.57 ChEMBL