CHEMBL438402


SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C
InChIKey VGBVAARMQYYITG-DESRROFGSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 22
Rotatable bonds 49
Molecular weight (Da) 1622.8

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 9.15 9.15 9.15 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 9.19 9.19 9.19 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 9.25 9.25 9.25 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 8.8 8.8 8.8 ChEMBL