CHEMBL316038


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey NTLXAVKHHNPHLL-LJWNLINESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 11
Rotatable bonds 19
Molecular weight (Da) 701.3

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 6.9 6.9 6.9 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.2 6.2 6.2 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.15 8.15 8.15 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.52 6.52 6.52 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.28 7.28 7.28 ChEMBL