CHEMBL5181752


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)CCSCc2ccc(cc2)CSCC[C@H](C(N)=O)NC1=O
InChIKey GSJMOWWRDXBJNA-QVKFSNMJSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 15
Molecular weight (Da) 1346.6

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 7.0 7.0 7.0 ChEMBL
MC3 MC3R Human Melanocortin A pKi 4.89 4.89 4.89 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.4 8.4 8.4 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 4.71 4.71 4.71 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.3 6.3 6.3 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.39 6.39 6.39 ChEMBL