CHEMBL210009


SMILES N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1
InChIKey AIBOPTDBFGOAQA-VHBSPPJTSA-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 5.75 5.75 5.75 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.14 5.14 5.14 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.65 5.65 5.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 5.97 5.97 5.97 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 4.7 4.7 4.7 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.29 6.29 6.29 ChEMBL