BX 471   Click here for help

GtoPdb Ligand ID: 767

Synonyms: BX-471 | BX-741
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: BX 471 is a potent, selective and orally active CCR1 antagonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 87.9
Molecular weight 434.15
XLogP 2.22
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(CC1C)Cc1ccc(cc1)F
Isomeric SMILES NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F
InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
1. Anders HJ, Vielhauer V, Frink M, Linde Y, Cohen CD, Blattner SM, Kretzler M, Strutz F, Mack M, Gröne HJ et al.. (2002)
A chemokine receptor CCR-1 antagonist reduces renal fibrosis after unilateral ureter ligation.
J Clin Invest, 109 (2): 251-9. [PMID:11805137]
2. Furuichi K, Gao JL, Horuk R, Wada T, Kaneko S, Murphy PM. (2008)
Chemokine receptor CCR1 regulates inflammatory cell infiltration after renal ischemia-reperfusion injury.
J Immunol, 181 (12): 8670-6. [PMID:19050287]
3. Liang M, Mallari C, Rosser M, Ng HP, May K, Monahan S, Bauman JG, Islam I, Ghannam A, Buckman B et al.. (2000)
Identification and characterization of a potent, selective, and orally active antagonist of the CC chemokine receptor-1.
J Biol Chem, 275 (25): 19000-8. [PMID:10748002]