CHEMBL443396


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O
InChIKey DBDVRJVEKWLHPY-AXIZJSBMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 574.3

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
MC1 MSHR Human Melanocortin A pKi 7.2 7.2 7.2 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.12 7.12 7.12 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 9.05 9.05 9.05 ChEMBL