CHEMBL4104465


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)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChIKey SJOQDGYJJVWVGL-IVDSFYENSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 22
Rotatable bonds 21
Molecular weight (Da) 1713.8

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
MC1 MSHR Human Melanocortin A pKi 6.55 6.55 6.55 ChEMBL
MC3 MC3R Human Melanocortin A pKi 4.75 4.75 4.75 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.32 5.32 5.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.26 7.26 7.26 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.07 5.07 5.07 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.83 5.83 5.83 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.61 6.22 6.83 ChEMBL