BX 471


SMILES NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F
InChIKey XQYASZNUFDVMFH-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 434.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations CCR1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pKi 8.2 8.6 9.0 Guide to Pharmacology
CCR1 CCR1 Human Chemokine A pKi 9.0 9.0 9.0 ChEMBL
CCR1 CCR1 Human Chemokine A pKd 9.0 9.0 9.0 ChEMBL
CCR1 CCR1 Mouse Chemokine A pKd 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pIC50 6.26 8.13 9.4 ChEMBL
CCR1 CCR1 Mouse Chemokine A pIC50 5.82 6.02 6.21 ChEMBL