CHEMBL4744046


SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN(C#N)[C@H](c3[nH]c4ccccc4c3CCn3cc(-c4cccc(Cl)c4)nn3)C[C@@H]21
InChIKey ZNXVYSTWUAFJFS-PPUVJRIJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 558.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR8 CCR8 Human Chemokine A pIC50 5.14 5.14 5.14 ChEMBL
CCR3 CCR3 Human Chemokine A pIC50 5.08 5.08 5.08 ChEMBL
CX3CR1 CX3C1 Human Chemokine A pIC50 5.07 5.07 5.07 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 5.1 5.1 5.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.75 6.75 6.75 ChEMBL