CHEMBL394074


SMILES COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC
InChIKey BAXFRVBZDPKKBM-UJWFOCJPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 623.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pKi 5.64 5.64 5.64 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.16 5.16 5.16 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.09 5.09 5.09 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.11 5.11 5.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database