CHEMBL385000


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O
InChIKey CBZNNNCTDMTAGU-NBRFXYHLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 16
Molecular weight (Da) 780.4

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 7.85 7.85 7.85 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.96 8.96 8.96 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.52 7.52 7.52 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.7 8.7 8.7 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.06 8.06 8.06 ChEMBL