CHEMBL213956


SMILES N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1
InChIKey AIBOPTDBFGOAQA-XFBWMNOSSA-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
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 7.4 7.4 7.4 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.81 6.81 6.81 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.51 7.51 7.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.52 7.52 7.52 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.58 6.58 6.58 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.85 7.85 7.85 ChEMBL