ZQU

Zosuquidar

Created:2018-02-05
Last modified:  2018-02-21

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Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count3
Bond Count76
Aromatic Bond Count23
2D diagram of ZQU

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Toggle HydrogenToggle Labels

Chemical Component Summary

NameZosuquidar
FormulaC32 H31 F2 N3 O2
Molecular Weight527.604
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH](COc1cccc2ncccc12)CN3CCN(CC3)C4c5ccccc5[CH]6[CH](c7ccccc47)C6(F)F
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)C(c3ccccc3C4C2C4(F)F)N5CCN(CC5)CC(COc6cccc7c6cccn7)O
Canonical SMILESCACTVS3.385 O[C@@H](COc1cccc2ncccc12)CN3CCN(CC3)C4c5ccccc5[C@@H]6[C@H](c7ccccc47)C6(F)F
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O
InChIInChI1.03 InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1
InChIKeyInChI1.03 IHOVFYSQUDPMCN-DBEBIPAYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB06191 
NameZosuquidar
Groups investigational
DescriptionZosuquidar is a compound of antineoplastic drug candidates currently under development. It is now in "Phase 3" of clinical tests in the United States. Its action mechanism consists of the inhibition of P-glycoproteins; other drugs with this mechanism include tariquidar and laniquidar.
Synonyms
  • Zosuquidar trihydrochloride
  • Zosuquidar
IndicationInvestigated for use/treatment in leukemia (myeloid) and myelodysplastic syndrome.
Categories
  • Benzocycloheptenes
  • Drug Resistance, Multiple
  • Heterocyclic Compounds, Fused-Ring
  • P-glycoprotein inhibitors
CAS number167354-41-8

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
ATP-dependent translocase ABCB1MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...unknowninhibitor
Phosphatidylcholine translocator ABCB4MDLEAAKNGTAWRPTSAEGDFELGISSKQKRKKTKTVKMIGVLTLFRYSD...unknownmodulator
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682