CHEMBL5177494


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O
InChIKey CHQLJCSENLHOPW-ZQZJLAJUSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 15
Molecular weight (Da) 1318.6

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 6.95 6.95 6.95 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.01 5.01 5.01 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.29 8.29 8.29 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 4.68 4.68 4.68 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.79 6.79 6.79 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.51 6.51 6.51 ChEMBL