CHEMBL375440


SMILES N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
InChIKey ZTBIYCCYYNUCCA-RRGQHJHPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 570.3

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 7.26 7.26 7.26 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.66 6.66 6.66 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.34 7.34 7.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.28 7.28 7.28 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.23 6.23 6.23 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.77 7.77 7.77 ChEMBL