CHEMBL1809043


SMILES O=C([C@@H]1C=C2c3cccc4c3c(cn4CCN3CCOCC3)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CCCC1
InChIKey IKHKEYNSXLJAKJ-FUFSCUOVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 539.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Rat Chemokine A pIC50 7.4 7.4 7.4 ChEMBL
CXCR3 CXCR3 Mouse Chemokine A pIC50 8.3 8.3 8.3 ChEMBL
CXCR3 CXCR3 Human Chemokine A pIC50 7.62 7.86 8.1 ChEMBL