Biricodar dicitrateProduct ingredient for Biricodar
- Name
- Biricodar dicitrate
- Drug Entry
- Biricodar
The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1).
- Accession Number
- DBSALT002850
- Structure
- Synonyms
- Biricodar dicitrate
- External IDs
- VX-710-3
- UNII
- 9WQP0L619L
- CAS Number
- 174254-13-8
- Weight
- Average: 987.9523
Monoisotopic: 987.348455901 - Chemical Formula
- C46H57N3O21
- InChI Key
- 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
- 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)
- 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
- External Links
- ChemSpider
- 8138745
- ChEMBL
- CHEMBL2104406
- Predicted Properties
Property Value Source Water Solubility 0.00129 mg/mL ALOGPS logP 4.54 ALOGPS logP 4.77 Chemaxon logS -5.7 ALOGPS pKa (Strongest Basic) 5.86 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 117.15 Å2 Chemaxon Rotatable Bond Count 26 Chemaxon Refractivity 164.5 m3·mol-1 Chemaxon Polarizability 64.13 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon