CHEMBL213566


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 561.3

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 5.95 5.95 5.95 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.33 6.33 6.33 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.96 7.96 7.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.45 6.45 6.45 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.08 7.08 7.08 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.66 8.66 8.66 ChEMBL