CHEMBL3735607


SMILES CCCCC(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](Cc2cnc[nH]2)NC1=O
InChIKey GGYWLZFXFKFWKL-YEGUTWPFSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 14
Rotatable bonds 17
Molecular weight (Da) 1073.6

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
MC3 MC3R Mouse Melanocortin A pKd 8.5 8.65 8.8 ChEMBL
MC3 MC3R Mouse Melanocortin A pKi 8.49 8.64 8.8 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 9.1 9.2 9.3 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 9.1 9.2 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 8.85 8.93 9.01 ChEMBL