CHEMBL213752


SMILES N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1
InChIKey AIBOPTDBFGOAQA-AZEUVNARSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 584.3

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 6.47 6.47 6.47 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.13 5.13 5.13 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.35 6.35 6.35 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 4.7 4.7 4.7 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 4.96 4.96 4.96 ChEMBL