CHEMBL1161313


SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O
InChIKey QXDWLOZJHHTTCF-CRLJADTFSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 13
Rotatable bonds 15
Molecular weight (Da) 1035.6

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
MC3 MC3R Human Melanocortin A pKd 9.4 9.4 9.4 ChEMBL
MC4 MC4R Human Melanocortin A pKd 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pEC50 10.51 10.51 10.51 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 10.57 10.57 10.57 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 9.68 9.68 9.68 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 9.64 9.64 9.64 ChEMBL