small molecule

Biricodar dicitrate

Synonyms/Brands: biricodar

The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1).

Molecular Formula: C₄₆H₅₇N₃O₂₁

Molecular Weight:: 987.9523

CAS:: 174254-13-8

InChiKey:: VDMKJSJJXQDICL-ZXVJYWQYSA-N

InChi:: InChI=1S/C34H41N3O7.2C6H8O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-;;/m0../s1

SMILES:: OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1

IUPAC Name:: 1,7-bis(pyridin-3-yl)heptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate; bis(2-hydroxypropane-1,2,3-tricarboxylic acid)

DrugBank PubChem ChemSpider KEGG Drug

Download Curated Data for this Chemical

4652

Interactors 3
Chemical Interactions 3
Network

Chemical Summary

Biricodar dicitrate