CHEMBL5080784


SMILES C[C@@H]1NC(=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]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
InChIKey PCKSOAZIMLQBHU-QUSUUWNGSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
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 8.4 8.4 8.4 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.52 6.52 6.52 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.16 9.16 9.16 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.29 6.29 6.29 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.18 8.18 8.18 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.17 8.72 9.27 ChEMBL