CHEMBL398929


SMILES COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F
InChIKey UQIQXCRYYCAMIP-WDYNHAJCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
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
MC4 MC4R Mouse Melanocortin A pKi 9.22 9.22 9.22 ChEMBL
MC1 MSHR Human Melanocortin A pKi 5.41 5.41 5.41 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.12 6.12 6.12 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.27 7.79 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pIC50 7.32 7.32 7.32 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.77 6.77 6.77 ChEMBL