R0Z

elacridar

Created:2020-08-25
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count0
Bond Count80
Aromatic Bond Count24
2D diagram of R0Z

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Chemical Component Summary

Nameelacridar
Synonyms~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide
FormulaC34 H33 N3 O5
Molecular Weight563.643
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12
SMILESOpenEye OEToolkits2.0.7COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O
Canonical SMILESCACTVS3.385 COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O
InChIInChI1.03 InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
InChIKeyInChI1.03 OSFCMRGOZNQUSW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04881 
NameElacridar
Groups investigational
DescriptionElacridar (GW120918) is an oral bioenhancer that targets multiple drug resistance in tumors. In many cases, the appearance of multidrug resistance in cancer is due to a change in expression of protein inhibitors. As of August 2007 elacridar was not listed on GSK's product pipeline. Development is assumed to have been discontinued.
Synonyms
  • Elacridar hydrochloride
  • Elacridar
IndicationFor the treatment of solid tumors.
Categories
  • BCRP/ABCG2 Inhibitors
  • Benzocycloheptenes
  • Drug Resistance, Multiple
  • Heterocyclic Compounds, Fused-Ring
  • Isoquinolines
CAS number143664-11-3

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
Broad substrate specificity ATP-binding cassette transporter ABCG2MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKS...unknowninhibitor
ATP-dependent translocase ABCB1MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...unknowninhibitor
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

Related Resource References

Resource NameReference
Pharos CHEMBL396298
PubChem 119373
ChEMBL CHEMBL396298