CHEMBL4068777


SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
InChIKey OUNKXHZNGYZMNG-ZPAWJIGKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 8
Rotatable bonds 18
Molecular weight (Da) 882.3

Drug properties

Molecular type Small molecule
Endogenous/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 5.6 6.07 6.5 ChEMBL
MC3 MC3R Mouse Melanocortin A pKi 6.1 6.3 6.5 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 5.3 5.35 5.4 ChEMBL