CHEMBL384176


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 617.3

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 7.75 7.75 7.75 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.15 8.15 8.15 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 8.64 8.64 8.64 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.0 8.0 8.0 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.3 9.3 9.3 ChEMBL