Detailed information for compound 1621883

Basic information

Technical information
  • TDR Targets ID: 1621883
  • Name: 5-[1-(3,4,5-trimethoxyphenyl)ethyl]-6-[4-[[6- [1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodi oxol-5-yl]oxy]butoxy]-1,3-benzodioxole
  • MW: 718.786 | Formula: C40H46O12
  • H donors: 0 H acceptors: 0 LogP: 8.23 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1OC)OC)C(c1cc2OCOc2cc1OCCCCOc1cc2OCOc2cc1C(c1cc(OC)c(c(c1)OC)OC)C)C
  • InChi: 1S/C40H46O12/c1-23(25-13-35(41-3)39(45-7)36(14-25)42-4)27-17-31-33(51-21-49-31)19-29(27)47-11-9-10-12-48-30-20-34-32(50-22-52-34)18-28(30)24(2)26-15-37(43-5)40(46-8)38(16-26)44-6/h13-20,23-24H,9-12,21-22H2,1-8H3
  • InChiKey: RKOAERBZYROYTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Butane,1,4-bis[(6-[1-(3,4,5-trimethoxyphenyl) ethyl]-1,3-benzodioxol-5-yl)oxy]-
  • NSC646095
  • NCI60_015848

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 multilocularis muscleblind protein 1 0.0131 0.1558 0.1558
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0152 0.0179
Toxoplasma gondii thioredoxin reductase 0.0041 0.0377 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0152 0.0152
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0152 0.0179
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0175 0.0207
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0122 0.0741
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0246 0.0246
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) hypothetical protein 0.0131 0.1558 0.1835
Schistosoma mansoni hypothetical protein 0.0114 0.1339 0.1576
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0152 0.0179
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0349 0.0349
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0241 0.3018 0.3018
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0094 0.1078 0.8837
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0122 0.0741
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0122 0.0741
Onchocerca volvulus 0.0026 0.0175 0.0098
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.1398 0.5401
Schistosoma mansoni kinase 0.0656 0.8492 1
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0286 0.7448
Leishmania major DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.0644 0.0758
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0349 0.0411
Entamoeba histolytica protein kinase domain containing protein 0.0119 0.1398 0.1396
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Onchocerca volvulus 0.0207 0.2571 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0152 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Brugia malayi hypothetical protein 0.0022 0.0122 0.0143
Brugia malayi hypothetical protein 0.0032 0.0246 0.029
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Entamoeba histolytica hypothetical protein 0.0114 0.1339 0.1325
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0026 0.0175 0.0175
Leishmania major DNA polymerase eta, putative 0.0062 0.0644 0.453
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0152 0.0152
Echinococcus multilocularis hypothetical protein 0.0114 0.1339 0.1339
Trypanosoma brucei protein kinase, putative 0.0119 0.1398 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0152 0.0179
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0152 0.0179
Brugia malayi GSG2 0.0114 0.1339 0.1576
Brugia malayi cyclin-dependent kinase 7 homolog 0.0119 0.1398 0.1646
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0349 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.0119 0.1398 0.1398
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0119 0.1398 0.1398
Plasmodium vivax SET domain protein, putative 0.0026 0.0175 0.1131
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0175 0.0207
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0152 0.0152
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0152 0.0152
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0152 0.0179
Echinococcus granulosus microtubule associated protein 2 0.0604 0.7814 0.7814
Giardia lamblia Kinase, CAMK CAMKL 0.0119 0.1398 1
Brugia malayi glutathione reductase 0.0041 0.0377 0.0444
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0377 0.0377
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus cyclin dependent kinase 9 0.0656 0.8492 0.8492
Brugia malayi hypothetical protein 0.0014 0.0018 0.0022
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0349 0.0125
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0152 0.0179
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0.002 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0349 0.2391
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.0644 0.453
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0152 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Giardia lamblia DINP protein human, muc B family 0.0039 0.0349 0.2391
Entamoeba histolytica protein kinase domain containing protein 0.0656 0.8492 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0182 0.2238 0.2635
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0241 0.3018 0.3018
Plasmodium falciparum glutathione reductase 0.0041 0.0377 0.2594
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0349 0.2751
Trypanosoma brucei unspecified product 0.0027 0.0188 0.1222
Loa Loa (eye worm) hypothetical protein 0.0022 0.0122 0.0143
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0152 0.0152
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Mycobacterium tuberculosis Probable oxidoreductase 0.0105 0.1217 1
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.0377 0.0444
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis set domain proteins, putative 0.0207 0.2571 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0359 0.0423
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0152 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0152 0.0179
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0119 0.1398 1
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Leishmania major serine/threonine kinase-like protein, putative 0.0119 0.1398 1
Leishmania major trypanothione reductase 0.0041 0.0377 0.2594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0152 0.0179
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0152 0.0152
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0349 0.0411
Echinococcus multilocularis muscleblind protein 0.0131 0.1558 0.1558
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0119 0.1398 1
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0122 0.2855
Plasmodium vivax glutathione reductase, putative 0.0041 0.0377 0.2594
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0188 0.1222
Giardia lamblia Kinase, CAMK CAMKL 0.0119 0.1398 1
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0152 0.0152
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0152 0.0179
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0152 0.0179
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0359 0.0423
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0349 0.1292
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Trichomonas vaginalis protein kinase atmrk1, putative 0.0119 0.1398 0.5401
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.0377 0.2594
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0026 0.0175 0.0175
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.002 0.0023
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0152 0.0179
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0114 0.1339 0.1339
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.1398 0.1646
Loa Loa (eye worm) hypothetical protein 0.0026 0.0175 0.0207
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Leishmania major hypothetical protein, conserved 0.0022 0.0122 0.0741
Loa Loa (eye worm) haspin protein kinase 0.0114 0.1339 0.1576
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.0163 0.0163
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0119 0.1398 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.002 0.0023
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0122 0.0741
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0152 0.0152
Echinococcus granulosus serine:threonine protein kinase haspin 0.0114 0.1339 0.1339
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0041 0.0377 0.2985
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0094 0.1078 0.8837
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0152 0.0179
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0094 0.1078 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0246 0.0246
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.004 0.0359 0.0423
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0152 0.0152
Schistosoma mansoni protein kinase 0.0119 0.1398 0.1646
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0188 0.1222
Leishmania major DNA polymerase eta, putative 0.0035 0.0286 0.1932
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0152 0.0179
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0114 0.1339 0.1339
Entamoeba histolytica cell division protein kinase 2, putative 0.0119 0.1398 0.1396
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0152 0.0152
Plasmodium falciparum MO15-related protein kinase 0.0119 0.1398 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0377 0.0377
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0246 0.029
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus multilocularis microtubule associated protein 2 0.0604 0.7814 0.7814
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Giardia lamblia Kinase, CAMK CAMKL 0.0119 0.1398 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0152 0.0179
Echinococcus granulosus muscleblind protein 0.0131 0.1558 0.1558
Schistosoma mansoni serine/threonine protein kinase 0.0656 0.8492 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0286 0.1932
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0359 0.0359
Brugia malayi ecdysteroid receptor 0.0024 0.0152 0.0179
Schistosoma mansoni serine/threonine kinase 0.0119 0.1398 0.1646
Brugia malayi Thioredoxin reductase 0.0041 0.0377 0.0444
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0152 0.0152
Loa Loa (eye worm) glutathione reductase 0.0041 0.0377 0.0444
Echinococcus granulosus dna polymerase eta 0.0062 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0231 0.2883 0.3395
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0359 0.0359
Schistosoma mansoni hypothetical protein 0.0032 0.0246 0.029
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0152 0.0152
Trypanosoma brucei unspecified product 0.0039 0.0349 0.2391
Trichomonas vaginalis serine/threonine kinase, putative 0.0119 0.1398 0.5401
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0644 0.453
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0152 0.0179
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0359 0.0359
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0119 0.1398 1
Echinococcus multilocularis dna polymerase eta 0.0062 0.0644 0.0644
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0152 0.0179
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Brugia malayi Cell division protein kinase 2 0.0119 0.1398 0.1646
Echinococcus granulosus histone lysine methyltransferase setb 0.0026 0.0175 0.0175
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0152 0.0179
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0119 0.1398 0.1646
Trypanosoma brucei trypanothione reductase 0.0041 0.0377 0.2594
Echinococcus granulosus dna polymerase kappa 0.0039 0.0349 0.0349
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0152 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0152 0.0179
Loa Loa (eye worm) haspin protein kinase 0.0119 0.1398 0.1646
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0119 0.1398 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0119 0.1398 1
Brugia malayi steroid hormone receptor 0.0024 0.0152 0.0179
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0152 0.0152
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.002 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.1398 0.5401
Trypanosoma brucei unspecified product 0.0027 0.0188 0.1222
Brugia malayi cyclin-dependent kinase 9 0.0656 0.8492 1
Brugia malayi hypothetical protein 0.0114 0.1339 0.1576
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0119 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0152 0.0179
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0175 0.0207
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0152 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Schistosoma mansoni hypothetical protein 0.0114 0.1339 0.1576
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0152 0.0179
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0119 0.1398 0.1398
Schistosoma mansoni coup transcription factor 0.0024 0.0152 0.0179
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0119 0.1398 1
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0119 0.1398 0.1646
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0105 0.1217 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0152 0.0152
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0105 0.1217 1
Loa Loa (eye worm) haspin protein kinase 0.0114 0.1339 0.1576
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0122 0.0741
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0349 0.1292
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0152 0.0152
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0359 0.0423
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0349 0.0411
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0105 0.1217 1
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0656 0.8492 1
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0349 1
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0349 0.2391
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0026 0.0175 0.0207
Plasmodium falciparum thioredoxin reductase 0.0041 0.0377 0.2594
Loa Loa (eye worm) hypothetical protein 0.0131 0.1558 0.1835
Brugia malayi Protein kinase domain containing protein 0.0119 0.1398 0.1646
Schistosoma mansoni microtubule-associated protein tau 0.0604 0.7814 0.9202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0359 0.0359
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0349 0.0411
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0349 0.2391
Treponema pallidum NADH oxidase 0.0014 0.002 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.002 0.002
Brugia malayi photoreceptor-specific nuclear receptor 0.0231 0.2883 0.3395
Echinococcus granulosus mitogen activated protein kinase 15 0.0119 0.1398 0.1398
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0349 0.2751
Echinococcus multilocularis cyclin dependent kinase 9 0.0656 0.8492 0.8492
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.1398 0.5401
Brugia malayi Pre-SET motif family protein 0.0026 0.0175 0.0207
Loa Loa (eye worm) hypothetical protein 0.0062 0.0644 0.0758
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0152 0.0179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.004 0.0359 0.0423
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.0377 0.2594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0152 0.0179
Trichomonas vaginalis AGC family protein kinase 0.0119 0.1398 0.5401
Mycobacterium tuberculosis Probable dehydrogenase 0.0094 0.1078 0.8837
Echinococcus granulosus serine:threonine protein kinase haspin 0.0114 0.1339 0.1339
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Brugia malayi Muscleblind-like protein 0.0131 0.1558 0.1835
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0152 0.0179
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0152 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0188 0.1222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0152 0.0179
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0152 0.0179
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0094 0.1078 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.002 0.002
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0349 0.2391
Brugia malayi nuclear hormone receptor 0.0024 0.0152 0.0179
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0152 0.0152
Schistosoma mansoni DNA polymerase eta 0.0062 0.0644 0.0758
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0152 0.0179
Echinococcus granulosus serine:threonine protein kinase haspin 0.0114 0.1339 0.1339
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0349 0.0349
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.071 0.9211 0.9211
Loa Loa (eye worm) hypothetical protein 0.0024 0.0152 0.0179
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0152 0.0179
Brugia malayi Pre-SET motif family protein 0.0182 0.2238 0.2635
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0026 0.0175 0.4358
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0152 0.0179
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.002 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0119 0.1398 0.5401
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0152 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0114 0.1339 0.1339
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0349 0.0349
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0152 0.0179
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0349 0.2391
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0122 0.0741
Mycobacterium tuberculosis Probable reductase 0.0094 0.1078 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401
Brugia malayi nuclear receptor NHR-88 0.0024 0.0152 0.0179
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.1398 0.5401

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.626 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.536 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.529 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.449 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.422 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.394 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.334 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.158 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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