Detailed information for compound 545749

Basic information

Technical information
  • TDR Targets ID: 545749
  • Name: bastadin 14
  • MW: 1017.1 | Formula: C34H25Br5N4O8
  • H donors: 6 H acceptors: 6 LogP: 9.62 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 3
  • SMILES: O/N=C\1/Cc2ccc(c(c2)Br)Oc2cc(CC(=NO)C(=O)NC=Cc3cc(c(Oc4cc(CCNC1=O)cc(Br)c4O)c(Br)c3)Br)cc(c2O)Br
  • InChi: 1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25+,43-26+
  • InChiKey: HXWATZFIMWEHEG-YUALJMAISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 146345-73-5
  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.214,17.13,7.119,23)octatriaconta-3,5,7(38),14,16,19,21,23(35),28,30,32,33,36-tridecaene-11,12,25,26-tetrone, 5,16,21,32,33-pentabromo-4,20-dihydroxy-, 12,15-bis(O-methyloxime), (E,E,?)-
  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17),1(19,23))octatriconta-3,5,7(38),14,16,19,21,23(35),28,30,32,33,36-tridecaene-11,12,25,26-tetrone, 5,16,21,32,33-pentabromo-4,20-dihydroxy-, 12,15-bis(D-methyloxime), (E,E,?)-

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
Loa Loa (eye worm) glutaminase 0.0266 0.649 1
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Brugia malayi Probable DNA topoisomerase II 0.0078 0.1689 0.2569
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.1735 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0462 0.0668
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0644 0.1387
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0462 0.2325
Loa Loa (eye worm) ryanodine receptor 0.0043 0.0823 0.1227
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0666 0.3558
Loa Loa (eye worm) hypothetical protein 0.0052 0.104 0.1563
Brugia malayi Dihydrofolate reductase 0.0208 0.4998 0.769
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0108 0.2476 0.4877
Loa Loa (eye worm) hypothetical protein 0.0034 0.0588 0.0864
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0644 0.0951
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.035 0.165
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0959 0.1438
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0056 0.115 0.115
Chlamydia trachomatis dihydrofolate reductase 0.0208 0.4998 1
Brugia malayi 6-phosphofructokinase 0.0108 0.2476 0.3787
Echinococcus multilocularis dnaJ subfamily B 0.0404 1 1
Echinococcus granulosus dihydrofolate reductase 0.0208 0.4998 0.4998
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0666 0.1489
Schistosoma mansoni hypothetical protein 0.0045 0.0872 0.0872
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0462 0.0668
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0666 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0547 0.0958
Echinococcus multilocularis dihydrofolate reductase 0.0208 0.4998 0.4998
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0644 0.0951
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.2476 0.3787
Brugia malayi N-terminal motif family protein 0.0176 0.419 0.6439
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0066 0.1407 0.4971
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0021 0.0257 0.0257
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0462 0.2325
Plasmodium falciparum DNA topoisomerase 2 0.0078 0.1689 0.9722
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.2476 0.2476
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0056 0.1147 0.2685
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0462 0.0668
Onchocerca volvulus 0.0028 0.0438 0.0981
Schistosoma mansoni DNA topoisomerase II 0.0078 0.1689 0.1689
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0644 0.1387
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0644 0.1387
Trypanosoma brucei DNA topoisomerase II beta, putative 0.007 0.1491 0.5365
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.2476 0.2476
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.007 0.1491 0.5365
Loa Loa (eye worm) hypothetical protein 0.0034 0.0588 0.0864
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0061 0.1268 0.4317
Loa Loa (eye worm) inositol-1 0.0036 0.0644 0.0951
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0056 0.1147 0.2685
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0666 0.0985
Loa Loa (eye worm) hypothetical protein 0.0035 0.0608 0.0895
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0109 0.0109
Loa Loa (eye worm) dihydrofolate reductase 0.0208 0.4998 0.769
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0666 0.0985
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0462 0.0784
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.2476 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0078 0.1689 0.2569
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0079 0.1735 0.6516
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Schistosoma mansoni inositol monophosphatase 0.0036 0.0644 0.0644
Brugia malayi phosphofructokinase 0.0108 0.2476 0.3787
Chlamydia trachomatis DNA gyrase subunit B 0.0026 0.0365 0.0588
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1084 0.6074
Loa Loa (eye worm) ryanodine receptor 0.0069 0.1468 0.2226
Trypanosoma cruzi DNA topoisomerase II, putative 0.007 0.1491 0.5365
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.035 0.165
Brugia malayi glutaminase DH11.1 0.0266 0.649 1
Schistosoma mansoni cpg binding protein 0.003 0.0479 0.0479
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0012 0.003 0.003
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0079 0.1735 0.6516
Schistosoma mansoni ryanodine receptor related 0.0184 0.4406 0.4406
Mycobacterium ulcerans glutaminase 0.0266 0.649 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0644 0.0887
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0109 0.0123
Schistosoma mansoni hypothetical protein 0.0333 0.8186 0.8186
Echinococcus multilocularis geminin 0.0333 0.8186 0.8186
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0208 0.4998 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0026 0.0365 0.1744
Leishmania major DNA topoisomerase ii 0.007 0.1491 0.5365
Brugia malayi dihydrofolate reductase family protein 0.0208 0.4998 0.769
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.2476 0.3787
Giardia lamblia DNA topoisomerase II 0.0074 0.1602 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0079 0.1735 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0666 0.2601
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0644 0.3427
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0026 0.0365 0.1206
Schistosoma mansoni ap endonuclease 0.0037 0.0666 0.0666
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0109 0.0109
Echinococcus multilocularis ryanodine receptor 44f 0.0149 0.3514 0.3514
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0462 0.0668
Chlamydia trachomatis DNA gyrase subunit B 0.0042 0.0787 0.1445
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0666 0.0666
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0022 0.0287 0.0287
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0462 0.2325
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0208 0.4998 0.7673
Schistosoma mansoni hypothetical protein 0.0333 0.8186 0.8186
Echinococcus multilocularis cpg binding protein 0.003 0.0479 0.0479
Echinococcus multilocularis GPCR, family 2 0.0015 0.0109 0.0109
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2476 0.3787
Brugia malayi hypothetical protein 0.0016 0.0125 0.0147
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.035 0.165
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0666 0.0985
Mycobacterium ulcerans 6-phosphofructokinase 0.0108 0.2476 0.3742
Echinococcus multilocularis 6 phosphofructokinase 0.0108 0.2476 0.2476
Schistosoma mansoni ap endonuclease 0.0037 0.0666 0.0666
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 0.2476 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0666 0.1489
Schistosoma mansoni cpg binding protein 0.003 0.0479 0.0479
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0438 0.0631
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0666 0.1489
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0644 0.0644
Brugia malayi cation channel family protein 0.0079 0.1721 0.2618
Echinococcus granulosus 6 phosphofructokinase 0.0108 0.2476 0.2476
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0066 0.1407 0.4971
Loa Loa (eye worm) hypothetical protein 0.0116 0.2678 0.4099
Echinococcus granulosus cpg binding protein 0.003 0.0479 0.0479
Schistosoma mansoni hypothetical protein 0.0033 0.0566 0.0566
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0959 0.1438
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0208 0.4998 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0166
Loa Loa (eye worm) hypothetical protein 0.0176 0.419 0.6439
Schistosoma mansoni hypothetical protein 0.0404 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0666 0.3558
Brugia malayi CXXC zinc finger family protein 0.0028 0.0438 0.0631
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0959 0.1438
Plasmodium falciparum DNA gyrase subunit B 0.0026 0.0365 0.1744
Loa Loa (eye worm) hypothetical protein 0.0015 0.0109 0.0123
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0666 0.0985
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0109 0.0123
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0078 0.1689 0.1689
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0666 0.12
Echinococcus granulosus ryanodine receptor 44f 0.0149 0.3514 0.3514
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.035 0.165
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.2476 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0166
Loa Loa (eye worm) glutaminase 2 0.0266 0.649 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0644 0.963
Loa Loa (eye worm) hypothetical protein 0.0022 0.0287 0.0398
Brugia malayi Inositol-1 0.0036 0.0644 0.0951
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0109 0.0109
Schistosoma mansoni cpg binding protein 0.0028 0.0438 0.0438
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0462 0.0668
Trichomonas vaginalis glutaminase, putative 0.0266 0.649 1
Loa Loa (eye worm) phosphofructokinase 0.0108 0.2476 0.3787
Toxoplasma gondii DNA topoisomerase 2, putative 0.0078 0.1689 0.9722
Trichomonas vaginalis DNA topoisomerase II, putative 0.0078 0.1689 0.2569
Echinococcus multilocularis ryanodine receptor 44f 0.0116 0.2678 0.2678
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0079 0.1735 0.6516
Schistosoma mansoni inositol monophosphatase 0.0036 0.0644 0.0644
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0026 0.0365 0.0588
Echinococcus granulosus GPCR family 2 0.0015 0.0109 0.0109
Loa Loa (eye worm) TOPoisomerase family member 0.0078 0.1689 0.2569
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 0.2476 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0666 0.1489
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0666 0.0666
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1247 0.1247
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0462 0.2325
Echinococcus multilocularis stromal cell derived factor 2 0.0012 0.003 0.003
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0137 0.0166
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0078 0.1689 0.1689
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0462 0.2325
Leishmania major mitochondrial DNA topoisomerase II 0.0061 0.1268 0.4317
Trypanosoma cruzi DNA topoisomerase II, putative 0.007 0.1491 0.5365
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0061 0.1268 0.4317
Leishmania major ATP-dependent phosphofructokinase 0.0108 0.2476 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0462 0.1607
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0462 0.2325
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0462 0.2325
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0462 0.0668
Echinococcus granulosus ryanodine receptor 44f 0.0116 0.2678 0.2678
Echinococcus granulosus geminin 0.0333 0.8186 0.8186
Brugia malayi 6-phosphofructokinase 0.0108 0.2476 0.3787
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Mycobacterium ulcerans DNA gyrase subunit B 0.0026 0.0365 0.0451
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0108 0.2476 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0056 0.1147 0.2685
Loa Loa (eye worm) hypothetical protein 0.0034 0.0571 0.0838
Toxoplasma gondii exonuclease III APE 0.0037 0.0666 0.3558
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0666 0.246
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.419 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0108 0.2476 0.4335
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0644 0.2512
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0644 0.0951
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0462 0.1764
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0666 0.1795
Leishmania major hypothetical protein, conserved 0.0045 0.0865 0.2426
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0462 0.0668
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2476 0.3787
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0666 0.0921
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0026 0.0365 0.4901
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0462 0.0784
Loa Loa (eye worm) hypothetical protein 0.0025 0.035 0.0495
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0033 0.0566 0.0829
Schistosoma mansoni glutaminase 0.0266 0.649 0.649
Schistosoma mansoni dihydrofolate reductase 0.0208 0.4998 0.4998
Trypanosoma brucei DNA topoisomerase ii 0.0061 0.1268 0.4317
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2476 0.3787
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0566 0.0829
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0026 0.0365 0.1744
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2476 0.3787
Entamoeba histolytica DNA topoisomerase II, putative 0.0078 0.1689 0.6783
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.1735 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0959 0.1438
Brugia malayi hypothetical protein 0.0025 0.035 0.0495
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0184 0.4406 0.6774
Loa Loa (eye worm) hypothetical protein 0.0052 0.104 0.1563
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0109 0.0123
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.2476 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0644 0.1387
Plasmodium vivax DNA topoisomerase II, putative 0.0078 0.1689 0.9722
Echinococcus granulosus stromal cell derived factor 2 0.0012 0.003 0.003
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0078 0.1689 0.2569

Activities

No activities found for this compound.

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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