Detailed information for compound 514470

Basic information

Technical information
  • TDR Targets ID: 514470
  • Name: 6,7-dimethoxy-2-[(3E)-3-(7-methoxy-3,4-dihydr o-2H-naphthalen-1-ylidene)propyl]-3,4-dihydro -1H-isoquinoline
  • MW: 393.519 | Formula: C25H31NO3
  • H donors: 0 H acceptors: 0 LogP: 4.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)/C(=C/CCN1CCc3c(C1)cc(c(c3)OC)OC)/CCC2
  • InChi: 1S/C25H31NO3/c1-27-22-10-9-19-7-4-6-18(23(19)16-22)8-5-12-26-13-11-20-14-24(28-2)25(29-3)15-21(20)17-26/h8-10,14-16H,4-7,11-13,17H2,1-3H3/b18-8+
  • InChiKey: IQMBOMLUAIPKTA-QGMBQPNBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-dimethoxy-2-[(3E)-3-(7-methoxytetralin-1-ylidene)propyl]-3,4-dihydro-1H-isoquinoline
  • 6,7-dimethoxy-2-[(3E)-3-(7-methoxy-1-tetralinylidene)propyl]-3,4-dihydro-1H-isoquinoline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis ATP-binding cassette protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-5 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium berghei multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0044 0.0025
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Brugia malayi nuclear receptor RXR 0.0045 0.0252 0.0833
Brugia malayi ecdysteroid receptor 0.0413 0.2641 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0116 0.0116
Onchocerca volvulus 0.0024 0.0116 0.028
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0069 0.0407 0.0407
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0116 0.0098
Schistosoma mansoni smdr2 0.0013 0.0044 0.0044
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0043 0.0024
Brugia malayi hypothetical protein 0.0045 0.0252 0.0833
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0044 0.0198
Echinococcus granulosus ecdysone induced protein 78C 0.0069 0.0407 0.0389
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0044 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0069 0.0407 0.1429
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0045 0.0252 0.0252
Echinococcus multilocularis FTZ F1 alpha 0.0069 0.0407 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0069 0.0407 0.1429
Schistosoma mansoni RAR-like nuclear receptor 0.0069 0.0407 0.0407
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0069 0.0407 0.1426
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0044 0.0198
Trichomonas vaginalis set domain proteins, putative 0.0273 0.1733 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0044 0.0198
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0069 0.0407 0.0389
Echinococcus granulosus dnaJ subfamily B 0.047 0.3013 0.2999
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0044 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0252 0.083
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0045 0.0252 0.0252
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0069 0.0407 0.0389
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0036 0.0017
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0069 0.0407 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0069 0.0407 0.1429
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0043 0.0024
Onchocerca volvulus 0.0069 0.0407 0.1399
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0022 0.0004
Brugia malayi photoreceptor-specific nuclear receptor 0.0069 0.0407 0.1429
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0116 0.0116
Brugia malayi hypothetical protein 0.0024 0.0116 0.0314
Loa Loa (eye worm) hypothetical protein 0.0035 0.0188 0.0587
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Loa Loa (eye worm) nuclear hormone receptor 0.0024 0.0116 0.031
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0069 0.0407 0.1429
Schistosoma mansoni cpg binding protein 0.0035 0.0188 0.0188
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0116 0.0314
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0044 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0188 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0069 0.0407 0.1426
Loa Loa (eye worm) hypothetical protein 0.0045 0.0252 0.083
Brugia malayi nuclear hormone receptor family member nhr-6 0.0024 0.0116 0.0314
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0116 0.0098
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0188 0.017
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0022 0.0022
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0009 0.0019 0.0053
Schistosoma mansoni thyroid hormone receptor 0.0214 0.1346 0.1346
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0044 0.0025
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0252 0.0833
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Echinococcus multilocularis ecdysone induced protein 78C 0.0069 0.0407 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0069 0.0407 0.1429
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Schistosoma mansoni multidrug resistance protein 0.0013 0.0044 0.0044
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0044 0.0198
Loa Loa (eye worm) hypothetical protein 0.0045 0.0252 0.083
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0069 0.0407 0.0389
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0044 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0044 0.0198
Brugia malayi conserved hypotetical protein 0.0024 0.0116 0.0314
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.09 0.0883
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0069 0.0407 0.1426
Onchocerca volvulus Bile acid receptor homolog 0.0413 0.2641 1
Loa Loa (eye worm) steroid hormone receptor 0.0069 0.0407 0.1426
Trichomonas vaginalis abcb9, putative 0.0013 0.0044 0.0198
Brugia malayi nuclear hormone receptor 0.0069 0.0407 0.1429
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0045 0.0252 0.0233
Echinococcus granulosus nuclear receptor nhr 48 0.0024 0.0116 0.0098
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0116 0.0098
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis microtubule associated protein 2 0.1548 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis thyroid hormone receptor alpha 0.0214 0.1346 0.133
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0044 0.0025
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Schistosoma mansoni nuclear receptor 0.0024 0.0116 0.0116
Schistosoma mansoni steroid hormone receptor ad4bp 0.0069 0.0407 0.0407
Brugia malayi CXXC zinc finger family protein 0.0033 0.0175 0.054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0069 0.0407 0.1426
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0188 0.017
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0044 0.5
Leishmania major p-glycoprotein 0.0013 0.0044 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.0407 0.1429
Onchocerca volvulus 0.0273 0.1733 0.6504
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0069 0.0407 0.0389
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0031
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0069 0.0407 0.0407
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0024 0.0116 0.0314
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0176 0.0157
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0069 0.0407 0.0407
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0044 0.0198
Schistosoma mansoni nuclear receptor 0.0024 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0069 0.0407 0.1429
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0044 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0044 0.0025
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0188 0.017
Brugia malayi nuclear receptor NHR-67 0.0024 0.0116 0.0314
Loa Loa (eye worm) DR-78 0.0024 0.0116 0.031
Onchocerca volvulus 0.0035 0.0188 0.0557
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0022 0.0004
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0044 0.0025
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Brugia malayi nuclear receptor NHR-88 0.0069 0.0407 0.1429
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0069 0.0407 0.1429
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0069 0.0407 0.0389
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Trichomonas vaginalis abcb9, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0024 0.0116 0.0098
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0024 0.0116 0.031
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0252 0.0833
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0031
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0044 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0069 0.0407 0.1429
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0044 0.5
Brugia malayi steroid hormone receptor 0.0069 0.0407 0.1429
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Loa Loa (eye worm) hypothetical protein 0.0045 0.0252 0.083
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Brugia malayi nuclear hormone receptor 0.0024 0.0116 0.0314
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0188 0.0188
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0116 0.0098
Echinococcus granulosus cpg binding protein 0.0035 0.0188 0.0169
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0069 0.0407 0.1429
Echinococcus multilocularis cpg binding protein 0.0035 0.0188 0.0169
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0044 0.0031
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0044 0.0025
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0024 0.0116 0.0098
Schistosoma mansoni cpg binding protein 0.0033 0.0175 0.0175
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0044 0.0025
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0424 0.0424
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0069 0.0407 0.0407
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Trichomonas vaginalis taga, putative 0.0013 0.0044 0.0198
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0024 0.0116 0.028
Schistosoma mansoni cpg binding protein 0.0035 0.0188 0.0188
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0022 0.0004
Schistosoma mansoni microtubule-associated protein tau 0.1548 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0044 0.0025
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.1426
Plasmodium falciparum multidrug resistance protein 1 0.0013 0.0044 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0175 0.0536
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Brugia malayi Pre-SET motif family protein 0.0035 0.0188 0.059
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0069 0.0407 0.1426
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0116 0.0098
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Schistosoma mansoni multidrug resistance protein 0.0013 0.0044 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0069 0.0407 0.0389
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0044 0.5
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0044 0.0198
Brugia malayi nuclear hormone receptor family member odr-7 0.0024 0.0116 0.0314
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0045 0.0252 0.0233
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0188 0.0188
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0045 0.0252 0.083
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0022 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0069 0.0407 0.0389
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0024 0.0116 0.0116
Brugia malayi hypothetical protein 0.0024 0.0116 0.0314
Schistosoma mansoni multidrug resistance protein 0.0013 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0013 0.0043 0.0028
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0024 0.0116 0.0098
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0188 0.4368
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0044 0.0025
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0044 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0069 0.0407 0.1429
Schistosoma mansoni nuclear hormone receptor 0.0069 0.0407 0.0407
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.1518 0.5691
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0069 0.0407 0.0389
Schistosoma mansoni zinc finger protein 0.0024 0.0116 0.0116
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0044 0.0025
Schistosoma mansoni coup transcription factor 0.0069 0.0407 0.0407
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0044 0.0198
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0069 0.0407 0.0389
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0036 0.0017
Loa Loa (eye worm) hypothetical protein 0.0413 0.2641 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0252 0.083
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0116 0.0098
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0044 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0069 0.0407 0.1429
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0069 0.0407 0.1429
Brugia malayi multidrug resistance protein 3 0.0013 0.0044 0.0034
Schistosoma mansoni thyroid hormone receptor 0.0214 0.1346 0.1346
Brugia malayi tailless protein 0.0024 0.0116 0.0314
Brugia malayi ABC transporter family protein 0.0013 0.0044 0.0034
Brugia malayi orphan nuclear receptor NR2E1 0.0024 0.0116 0.0314
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0044 0.0025
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.09 0.0883
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0116 0.0314
Brugia malayi nuclear receptor NHR-88 0.0024 0.0116 0.0314
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0044 0.0025
Echinococcus granulosus FTZ F1 alpha 0.0069 0.0407 0.0389
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0024 0.0116 0.0116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0069 0.0407 0.1426
Schistosoma mansoni nuclear receptor nhr-48 0.0024 0.0116 0.0116
Brugia malayi nuclear receptor RXR 0.0024 0.0116 0.0314
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0044 0.0198
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0069 0.0407 0.1429
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0024 0.0116 0.028
Brugia malayi ecdysone receptor 0.0024 0.0116 0.0314
Echinococcus multilocularis dnaJ subfamily B 0.047 0.3013 0.2999
Brugia malayi hypothetical protein 0.0045 0.0252 0.0833
Plasmodium vivax SET domain protein, putative 0.0035 0.0188 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0069 0.0407 0.1429
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0069 0.0407 0.1426
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0044 0.0198
Schistosoma mansoni hypothetical protein 0.047 0.3013 0.3013
Schistosoma mansoni retinoic acid receptor RXR 0.0069 0.0407 0.0407
Schistosoma mansoni hypothetical protein 0.0145 0.09 0.09
Brugia malayi Pre-SET motif family protein 0.024 0.1518 0.5693
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0069 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Echinococcus granulosus thyroid hormone receptor alpha 0.0024 0.0116 0.0098
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0044 0.0025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0069 0.0407 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0188 0.0188
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0044 0.0198
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0044 0.5
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0013 0.0044 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0069 0.0407 0.0407
Onchocerca volvulus 0.0024 0.0116 0.028
Echinococcus multilocularis nuclear receptor nhr 48 0.0024 0.0116 0.0098
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.031
Onchocerca volvulus 0.0033 0.0175 0.0507
Loa Loa (eye worm) nuclear receptor NHR-67 0.0024 0.0116 0.031
Onchocerca volvulus Protein ultraspiracle homolog 0.0069 0.0407 0.1399
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0069 0.0407 0.1399
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0069 0.0407 0.0389
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0069 0.0407 0.0389

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 4.1 Inhibition of human Pgp in adriamycin resistant MCF7 cells assessed as fold increase in accumulation of doxorubicin at 20 uM relative to control ChEMBL. 17936633
Activity (binding) = 4.1 Inhibition of human Pgp in adriamycin resistant MCF7 cells assessed as fold increase in accumulation of doxorubicin at 20 uM relative to control ChEMBL. 17936633
Activity (functional) < 20 % Cytotoxic activity against adriamycin resistant human MCF7 cells assessed as LDH release at 100 uM after 48 hrs ChEMBL. 17936633
Activity (functional) < 20 % Cytotoxic activity against adriamycin resistant human MCF7 cells assessed as LDH release at 100 uM after 24 hrs ChEMBL. 17936633
Activity (functional) < 20 % Cytotoxic activity against adriamycin resistant human MCF7 cells assessed as LDH release at 100 uM after 48 hrs ChEMBL. 17936633
Activity (functional) < 20 % Cytotoxic activity against adriamycin resistant human MCF7 cells assessed as LDH release at 100 uM after 24 hrs ChEMBL. 17936633
EC50 (binding) = 4.86 uM Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco2 cells ChEMBL. 17936633
EC50 (binding) = 4.86 uM Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco2 cells ChEMBL. 17936633
Papp (ADMET) = 1663 nm/s Apparent permeability from apical to basolateral side of human Caco2 cell membrane ChEMBL. 17936633
Papp (ADMET) = 1663 nm/s Apparent permeability from apical to basolateral side of human Caco2 cell membrane ChEMBL. 17936633
Papp (ADMET) = 6567 nm/s Apparent permeability from basolateral to apical side of human Caco2 cell membrane ChEMBL. 17936633
Papp (ADMET) = 6567 nm/s Apparent permeability from basolateral to apical side of human Caco2 cell membrane ChEMBL. 17936633
Ratio (ADMET) = 3.9 Ratio of apparent permeability from apical to basolateral over basolateral to apical side of human Caco2 cell membrane ChEMBL. 17936633

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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