CHEMBL212855


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O
InChIKey XTFDODQXHGKUJD-ZNZIZOMTSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 562.3

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 4.66 4.66 4.66 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.21 5.21 5.21 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.44 6.44 6.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 7.75 7.75 7.75 ChEMBL