CHEMBL3701188


SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
InChIKey SIUQYAWDXLUCLD-OSPHWJPCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 523.2

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
CXCR1 CXCR1 Human Chemokine A pIC50 6.22 6.22 6.22 ChEMBL
CCR6 CCR6 Human Chemokine A pIC50 8.24 8.24 8.24 ChEMBL
CXCR2 CXCR2 Human Chemokine A pIC50 7.43 7.43 7.43 ChEMBL
CXCR3 CXCR3 Human Chemokine A pIC50 6.62 6.62 6.62 ChEMBL