CHEMBL378837


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 575.3

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 6.44 6.44 6.44 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.12 7.12 7.12 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.15 8.15 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.5 6.5 6.5 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.43 7.43 7.43 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.8 8.8 8.8 ChEMBL