CHEMBL504986


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
InChIKey ROTHBSFMHAHRTG-VLGXOXMCSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 11
Rotatable bonds 12
Molecular weight (Da) 893.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

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
MC1 MSHR Human Melanocortin A pEC50 8.7 8.7 8.7 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 8.43 8.43 8.43 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 7.36 7.36 7.36 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.72 6.72 6.72 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.7 8.7 8.7 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 7.4 7.4 7.4 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.43 7.43 7.43 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.33 7.33 7.33 ChEMBL