CHEMBL2112603


SMILES CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIKey TUEXZDIGHDGDGO-BXPNTNNBSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 16
Rotatable bonds 33
Molecular weight (Da) 1532.7

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 Human Melanocortin A pEC50 6.06 6.06 6.06 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 4.58 4.58 4.58 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 6.7 6.7 6.7 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 5.43 5.43 5.43 ChEMBL