CHEMBL214410


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O
InChIKey BZEWEHPSOMSRJV-RWSKJCERSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 644.4

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 8.37 8.37 8.37 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.77 7.77 7.77 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.43 8.43 8.43 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.25 8.25 8.25 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.8 8.8 8.8 ChEMBL