CHEMBL5438629


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2cc(N)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
InChIKey HGBJQFBJSTUQOF-VLGXOXMCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 12
Rotatable bonds 11
Molecular weight (Da) 863.4

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
MC1 MSHR Human Melanocortin A pKi 6.57 6.57 6.57 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.09 6.09 6.09 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.48 9.48 9.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.3 7.3 7.3 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.5 6.5 6.5 ChEMBL