Detailed information for compound 934646

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 614.137 | Formula: C33H36ClN7O3
  • H donors: 0 H acceptors: 4 LogP: 4.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)c1nc(nnc1c1ccc(cc1)OC)N1CCN(CC1)C(=O)CN1CCN(CC1)c1ccc(cc1)Cl
  • InChi: 1S/C33H36ClN7O3/c1-43-28-11-3-24(4-12-28)31-32(25-5-13-29(44-2)14-6-25)36-37-33(35-31)41-21-19-40(20-22-41)30(42)23-38-15-17-39(18-16-38)27-9-7-26(34)8-10-27/h3-14H,15-23H2,1-2H3
  • InChiKey: ATKCICUHWIRZCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 Aryl hydrocarbon receptor nuclear 0.0012 0.0019 0.001
Loa Loa (eye worm) hypothetical protein 0.0039 0.0266 0.0407
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0053 0.0136
Echinococcus granulosus geminin 0.0424 0.3831 0.3825
Brugia malayi Bloom's syndrome protein homolog 0.0356 0.3207 1
Brugia malayi Smad1 0.002 0.0093 0.0263
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.0053 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0306 0.0954
Brugia malayi hypothetical protein 0.0098 0.0809 0.2502
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0147 0.1268 0.126
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.0053 0.0044
Echinococcus multilocularis bloom syndrome protein 0.0356 0.3207 0.32
Schistosoma mansoni DNA helicase recq1 0.0147 0.1268 0.126
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0096 0.0796 0.0788
Entamoeba histolytica recQ family helicase, putative 0.019 0.1669 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.001 0.00000000056203 0.0000000017527
Schistosoma mansoni TGF-beta signal transducer Smad2 0.002 0.0093 0.0084
Loa Loa (eye worm) hypothetical protein 0.0035 0.0229 0.0347
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0013 0.0021 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0016 0.0053 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0016 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.0096 0.079 0.1236
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0285 0.0436
Schistosoma mansoni hypothetical protein 0.004 0.0271 0.0262
Schistosoma mansoni hypothetical protein 0.0138 0.118 0.1172
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0241 0.2137 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0158 0.0235
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0027 0.0158 0.0465
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0072 0.0574 0.0565
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0804 0.0796
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0229 0.022
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0229 0.1061
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0053 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0229 0.0713
Loa Loa (eye worm) hypothetical protein 0.0027 0.0158 0.0235
Echinococcus multilocularis mothers against decapentaplegic 5 0.002 0.0093 0.0084
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0053 0.0044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0053 0.0044
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.079 0.0782
Echinococcus granulosus TGF beta signal transducer SmadC 0.002 0.0093 0.0084
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0495 0.0769
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0072 0.0574 0.0894
Loa Loa (eye worm) hypothetical protein 0.005 0.037 0.0572
Schistosoma mansoni hypothetical protein 0.0076 0.0612 0.0603
Trichomonas vaginalis DNA helicase recq, putative 0.019 0.1669 0.5204
Loa Loa (eye worm) hypothetical protein 0.0075 0.06 0.0934
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0147 0.1268 0.3937
Entamoeba histolytica recQ family helicase, putative 0.0072 0.0573 0.1907
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0016 0.0053 0.0069
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.0053 0.0044
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.0053 0.0044
Loa Loa (eye worm) hypothetical protein 0.0027 0.0158 0.0235
Echinococcus granulosus intermediate filament protein 0.0021 0.01 0.0091
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.177 0.5508
Onchocerca volvulus Huntingtin homolog 0.0098 0.0809 0.4645
Loa Loa (eye worm) hypothetical protein 0.0086 0.0698 0.109
Schistosoma mansoni hypothetical protein 0.004 0.0271 0.0262
Brugia malayi steroid hormone receptor 0.0016 0.0053 0.0136
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0012 0.0013 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.0574 0.0565
Loa Loa (eye worm) CXXC zinc finger family protein 0.0045 0.0325 0.05
Schistosoma mansoni hypothetical protein 0.0064 0.0495 0.0486
Echinococcus granulosus FTZ F1 alpha 0.0016 0.0053 0.0044
Mycobacterium leprae Probable lipase LipE 0.0035 0.0229 0.7137
Loa Loa (eye worm) hypothetical protein 0.0021 0.0097 0.0139
Schistosoma mansoni smad1 5 8 and 0.002 0.0093 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.0053 0.0136
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0229 0.022
Brugia malayi nuclear receptor NHR-88 0.0016 0.0053 0.0136
Treponema pallidum ATP-dependent DNA helicase 0.0075 0.06 0.5
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0285 0.0276
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0147 0.1268 0.1992
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.0053 0.0044
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0495 0.0486
Loa Loa (eye worm) isocitrate dehydrogenase 0.0013 0.0021 0.002
Entamoeba histolytica recQ family DNA helicase 0.0075 0.06 0.2102
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0076 0.0612 0.0603
Brugia malayi hypothetical protein 0.0028 0.0163 0.0483
Brugia malayi beta-lactamase 0.0035 0.0229 0.0687
Onchocerca volvulus 0.0038 0.0261 0.1278
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.019 0.1669 1
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0033 0.0075
Schistosoma mansoni hypothetical protein 0.0038 0.0261 0.0252
Brugia malayi PAS domain containing protein 0.0012 0.0013 0.0014
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0147 0.1268 0.126
Schistosoma mansoni smad1 5 8 and 0.002 0.0093 0.0084
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.0053 0.0044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.177 0.5508
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0229 0.0713
Schistosoma mansoni cpg binding protein 0.0045 0.0325 0.0316
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0012 0.0013 0.0042
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.001 0.00000000056203 0.0000000017527
Schistosoma mansoni hypothetical protein 0.0064 0.0495 0.0486
Loa Loa (eye worm) hypothetical protein 0.0035 0.0229 0.0347
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0013 0.0021 0.0012
Echinococcus multilocularis musashi 0.0021 0.01 0.0091
Echinococcus granulosus tar DNA binding protein 0.005 0.0372 0.0364
Loa Loa (eye worm) RecQ helicase 0.0356 0.3207 0.5059
Schistosoma mansoni caspase-7 (C14 family) 0.0025 0.0133 0.0124
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0646 0.5891 0.5887
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0028 0.0163 0.0483
Schistosoma mansoni microtubule-associated protein tau 0.1089 1 1
Onchocerca volvulus 0.0035 0.0229 0.108
Schistosoma mansoni tar DNA-binding protein 0.005 0.0372 0.0364
Echinococcus multilocularis lamin dm0 0.0021 0.01 0.0091
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0076 0.0612 0.0603
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0016 0.0053 0.0069
Trichomonas vaginalis DNA helicase recq1, putative 0.0356 0.3207 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.079 0.2443
Schistosoma mansoni single-minded 0.0012 0.0013 0.0004
Brugia malayi MH1 domain containing protein 0.002 0.0093 0.0263
Loa Loa (eye worm) hypothetical protein 0.0201 0.177 0.2787
Echinococcus multilocularis protein patched 0.0041 0.0285 0.0276
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Trypanosoma brucei ribosomal RNA processing protein 6 0.0044 0.0315 0.1782
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0285 0.0276
Echinococcus granulosus transcription factor eb 0.0086 0.0703 0.0695
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0007
Brugia malayi RNA binding protein 0.005 0.0372 0.1136
Echinococcus granulosus lamin 0.0021 0.01 0.0091
Mycobacterium ulcerans hypothetical protein 0.0044 0.0315 1
Schistosoma mansoni DNA helicase recq5 0.0147 0.1268 0.126
Schistosoma mansoni smad 0.002 0.0093 0.0084
Brugia malayi Isocitrate dehydrogenase 0.0013 0.0021 0.0039
Brugia malayi Intermediate filament tail domain containing protein 0.0021 0.01 0.0285
Echinococcus multilocularis isocitrate dehydrogenase 0.0013 0.0021 0.0012
Loa Loa (eye worm) 3'-5' exonuclease 0.0044 0.0315 0.0484
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.0053 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0229 0.13
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0013 0.0042
Echinococcus granulosus Smad4 0.002 0.0093 0.0084
Onchocerca volvulus 0.0025 0.0133 0.0493
Schistosoma mansoni hypothetical protein 0.0025 0.0133 0.0124
Brugia malayi ecdysteroid receptor 0.0016 0.0053 0.0136
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.0053 0.0044
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0229 0.0687
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0013 0.0021 0.0012
Onchocerca volvulus 0.0045 0.0325 0.1672
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.177 0.2787
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0285 0.0888
Schistosoma mansoni polymyositis/scleroderma autoantigen-related 0.0044 0.0315 0.0306
Schistosoma mansoni cpg binding protein 0.0048 0.0349 0.034
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0229 0.0713
Brugia malayi cytoplasmic intermediate filament protein 0.0011 0.001 0.0001
Trichomonas vaginalis adenylate cyclase, putative 0.0012 0.0013 0.0042
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.001 0.00000000056203 0.0000000017527
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0053 0.0136
Schistosoma mansoni smad1 5 8 and 0.002 0.0093 0.0084
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0229 0.1061
Echinococcus granulosus expressed conserved protein 0.009 0.0737 0.0728
Echinococcus granulosus X box binding protein 1 0.0229 0.2032 0.2024
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0035 0.0026
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.0072 0.0573 0.2607
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0028 0.0163 0.0154
Brugia malayi hypothetical protein 0.0027 0.0158 0.0465
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0229 0.0713
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0075 0.06 0.3541
Schistosoma mansoni tar DNA-binding protein 0.005 0.0372 0.0364
Echinococcus granulosus survival motor neuron protein 1 0.0188 0.165 0.1643
Echinococcus multilocularis TGF beta signal transducer SmadC 0.002 0.0093 0.0084
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0229 0.0713
Onchocerca volvulus 0.0021 0.01 0.0292
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.0053 0.0044
Echinococcus multilocularis smad 0.002 0.0093 0.0084
Onchocerca volvulus Protein cycle homolog 0.0028 0.0163 0.068
Schistosoma mansoni apoptosis regulator bax 0.0076 0.0612 0.0603
Loa Loa (eye worm) hypothetical protein 0.0041 0.0285 0.0436
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0053 0.0044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.0053 0.0044
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0012 0.0013 0.0042
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0229 0.022
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.0053 0.0136
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0.0021 0.0049
Echinococcus granulosus mothers against decapentaplegic 5 0.002 0.0093 0.0084
Schistosoma mansoni hypothetical protein 0.0424 0.3831 0.3825
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0072 0.0574 0.0565
Echinococcus multilocularis tar DNA binding protein 0.005 0.0372 0.0364
Loa Loa (eye worm) hypothetical protein 0.0098 0.0809 0.1266
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.0053 0.0136
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0012 0.0019 0.001
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.005 0.0372 0.0575
Loa Loa (eye worm) hypothetical protein 0.0138 0.118 0.1853
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.001 0.00000000056203 0.0000000017527
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.001 0.00000000056203 0.0000000017527
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0086 0.0698 0.109
Echinococcus multilocularis X box binding protein 1 0.0229 0.2032 0.2024
Echinococcus multilocularis Smad4 0.002 0.0093 0.0084
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.0053 0.0136
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0076 0.0612 0.1886
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0013 0.0021 0.0012
Loa Loa (eye worm) hypothetical protein 0.0027 0.0158 0.0235
Echinococcus granulosus Helicase RNase D C terminal HRDC domain 0.0044 0.0315 0.0306
Schistosoma mansoni intermediate filament proteins 0.0021 0.01 0.0091
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.0053 0.0044
Schistosoma mansoni hypothetical protein 0.004 0.0271 0.0262
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.0053 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.0053 0.0136
Echinococcus granulosus bloom syndrome protein 0.0356 0.3207 0.32
Schistosoma mansoni hypothetical protein 0.0076 0.0612 0.0603
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.079 0.0782
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.004 0.0272 0.0416
Loa Loa (eye worm) MH2 domain-containing protein 0.002 0.0093 0.0133
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0147 0.1268 0.126
Schistosoma mansoni Smad4 0.002 0.0093 0.0084
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0013 0.0042
Schistosoma mansoni tar DNA-binding protein 0.005 0.0372 0.0364
Trypanosoma cruzi ribosomal RNA processing protein 6, putative 0.0044 0.0315 0.1822
Leishmania major hypothetical protein, conserved 0.0035 0.0229 0.13
Brugia malayi MH2 domain containing protein 0.002 0.0093 0.0263
Brugia malayi MH2 domain containing protein 0.002 0.0093 0.0263
Loa Loa (eye worm) hypothetical protein 0.0035 0.0229 0.0347
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0053 0.0136
Brugia malayi Pax transcription factor protein 2 0.0192 0.1681 0.523
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0229 0.7137
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0495 0.0486
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0306 0.1344
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0495 0.152
Loa Loa (eye worm) hypothetical protein 0.0188 0.165 0.2597
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0072 0.0574 0.1767
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.0053 0.0044
Loa Loa (eye worm) steroid hormone receptor 0.0016 0.0053 0.0069
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0016 0.0053 0.0069
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0495 0.0486
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0053 0.0044
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0229 0.022
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0012 0.0013 0.0042
Echinococcus multilocularis survival motor neuron protein 1 0.0188 0.165 0.1643
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0285 0.0276
Schistosoma mansoni lamin 0.0021 0.01 0.0091
Schistosoma mansoni hypothetical protein 0.0076 0.0612 0.0603
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0238 0.2111 1
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0495 0.152
Onchocerca volvulus 0.0035 0.0229 0.108
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0495 0.0486
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0053 0.0044
Loa Loa (eye worm) hypothetical protein 0.0076 0.0612 0.0954
Loa Loa (eye worm) hypothetical protein 0.0098 0.0809 0.1266
Echinococcus granulosus caspase 2 0.0025 0.0133 0.0124
Toxoplasma gondii ABC1 family protein 0.0035 0.0229 0.0992
Schistosoma mansoni blooms syndrome DNA helicase 0.0281 0.2512 0.2505
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0016 0.0053 0.0069
Loa Loa (eye worm) transcription factor SMAD2 0.0298 0.2671 0.4211
Echinococcus multilocularis expressed conserved protein 0.009 0.0737 0.0728
Schistosoma mansoni hypothetical protein 0.0064 0.0495 0.0486
Echinococcus multilocularis GPCR, family 2 0.0064 0.0495 0.0486
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0076 0.0612 0.0603
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.019 0.1669 1
Mycobacterium tuberculosis Conserved hypothetical alanine rich protein 0.0044 0.0315 0.1504
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0028 0.0163 0.0244
Loa Loa (eye worm) hypothetical protein 0.0035 0.0229 0.0347
Mycobacterium tuberculosis Conserved protein 0.0035 0.0229 0.1061
Onchocerca volvulus 0.0035 0.0229 0.108
Onchocerca volvulus 0.0039 0.0266 0.1312
Loa Loa (eye worm) hypothetical protein 0.0693 0.633 1
Brugia malayi MH1 domain containing protein 0.002 0.0093 0.0263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0072 0.0574 0.0565
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0053 0.0136
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0229 0.1061
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0035 0.0026
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0229 0.1061
Onchocerca volvulus Cell death protein 3 homolog 0.0025 0.0133 0.0493
Echinococcus multilocularis geminin 0.0424 0.3831 0.3825
Loa Loa (eye worm) apoptosis regulator protein 0.0076 0.0612 0.0954
Loa Loa (eye worm) histone methyltransferase 0.0014 0.0035 0.0041
Brugia malayi hypothetical protein 0.0188 0.165 0.5133
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0229 0.0979
Loa Loa (eye worm) MH1 domain-containing protein 0.002 0.0093 0.0133
Onchocerca volvulus Huntingtin homolog 0.0098 0.0809 0.4645
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0076 0.0612 0.0603
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.0053 0.0044
Loa Loa (eye worm) RNA binding protein 0.005 0.0372 0.0575
Loa Loa (eye worm) beta-lactamase 0.0035 0.0229 0.0347
Loa Loa (eye worm) hypothetical protein 0.0147 0.1268 0.1992
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0072 0.0574 0.0565
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0013 0.0021 0.0012
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.019 0.1669 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0021 0.01 0.0144
Schistosoma mansoni hypothetical protein 0.0646 0.5888 0.5885
Echinococcus granulosus GPCR family 2 0.0064 0.0495 0.0486
Schistosoma mansoni blooms syndrome DNA helicase 0.0075 0.06 0.0591
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.0053 0.0044
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.0053 0.0044
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.001 0.00000000056203 0.0000000017527
Brugia malayi CHE-14 protein 0.0041 0.0285 0.0862
Loa Loa (eye worm) hypothetical protein 0.0025 0.0133 0.0196
Loa Loa (eye worm) intermediate filament protein 0.0021 0.01 0.0144
Echinococcus granulosus cpg binding protein 0.0048 0.0349 0.034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.0574 0.0565
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0075 0.06 0.2767
Schistosoma mansoni tar DNA-binding protein 0.005 0.0372 0.0364
Loa Loa (eye worm) hypothetical protein 0.0035 0.0229 0.0347
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0147 0.1268 0.5965
Schistosoma mansoni survival motor neuron protein 0.0038 0.0261 0.0252
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0053 0.0136
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0229 0.0347
Leishmania major exosome subunit rrp6p homologue, putative 0.0044 0.0315 0.1822
Trichomonas vaginalis guanylate cyclase, putative 0.0012 0.0013 0.0042
Echinococcus multilocularis microtubule associated protein 2 0.1089 1 1
Brugia malayi hypothetical protein 0.0039 0.0266 0.0805
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0147 0.1268 0.126
Echinococcus multilocularis lamin 0.0021 0.01 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0013 0.0042
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0053 0.0044
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.0053 0.0044
Brugia malayi CXXC zinc finger family protein 0.0045 0.0325 0.0988
Plasmodium vivax exosome complex exonuclease RRP6, putative 0.0044 0.0315 0.1387
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.117 0.1162
Brugia malayi MH2 domain containing protein 0.0298 0.2671 0.8324
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.001 0.00000000056203 0.0000000017527
Trichomonas vaginalis esterase, putative 0.0035 0.0229 0.0713
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0028 0.0163 0.0483
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0012 0.0013 0.5
Schistosoma mansoni hypothetical protein 0.0229 0.2032 0.2024
Echinococcus multilocularis Helicase RNase D C terminal, HRDC domain 0.0044 0.0315 0.0306
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0013 0.0021 0.0049
Echinococcus granulosus lamin dm0 0.0021 0.01 0.0091
Loa Loa (eye worm) hypothetical protein 0.0064 0.0495 0.0769
Mycobacterium ulcerans ATP-dependent DNA helicase II UvrD2 0.0043 0.0306 0.8935
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.0053 0.0136
Schistosoma mansoni cpg binding protein 0.0048 0.0349 0.034
Trichomonas vaginalis DNA helicase recq, putative 0.0356 0.3207 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0229 0.1061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.0574 0.0565
Echinococcus multilocularis transcription factor eb 0.0086 0.0703 0.0695
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.0053 0.0044
Onchocerca volvulus 0.0192 0.1681 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0229 0.1061
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0086 0.0703 0.2172
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.0053 0.0136
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.0053 0.0044
Echinococcus multilocularis dnaJ subfamily B 0.0646 0.5888 0.5885
Loa Loa (eye worm) hypothetical protein 0.0021 0.01 0.0144
Mycobacterium tuberculosis Probable ATP-dependent DNA helicase II UvrD2 0.0043 0.0306 0.1457
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0075 0.06 0.3541
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0016 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0053 0.0136
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0012 0.0013 0.0042
Echinococcus multilocularis caspase 2 0.0025 0.0133 0.0124
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.079 0.3511
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0053 0.0136
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0076 0.0612 0.0603
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0147 0.1268 0.5965
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0147 0.1268 0.3937
Brugia malayi hypothetical protein 0.0025 0.0133 0.0387
Schistosoma mansoni coup transcription factor 0.0016 0.0053 0.0044
Echinococcus granulosus dnaJ subfamily B 0.0646 0.5888 0.5885
Echinococcus multilocularis apoptotic protease activating factor 1 0.0025 0.0133 0.0124
Echinococcus granulosus aryl hydrocarbon receptor 0.004 0.0272 0.0263
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.001 0.00000000056203 0.0000000017527
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0313 0.2806 1
Brugia malayi isocitrate dehydrogenase 0.0013 0.0021 0.0039
Loa Loa (eye worm) hypothetical protein 0.0025 0.0133 0.0196
Brugia malayi beta-lactamase family protein 0.0035 0.0229 0.0687
Loa Loa (eye worm) hypothetical protein 0.0035 0.0229 0.0347
Brugia malayi latrophilin 2 splice variant baaae 0.0138 0.118 0.3662
Schistosoma mansoni patched 1 0.0041 0.0285 0.0276
Schistosoma mansoni tar DNA-binding protein 0.005 0.0372 0.0364
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0229 0.1258
Mycobacterium tuberculosis Conserved protein 0.0035 0.0229 0.1061
Trichomonas vaginalis guanylate cyclase, putative 0.0012 0.0013 0.0042
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0043 0.0306 0.1021
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0229 0.13
Brugia malayi Cell death protein 3 precursor 0.0025 0.0133 0.0387
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0147 0.1268 0.4477
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0013 0.0021 0.0012
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.0053 0.0044
Echinococcus granulosus apoptotic protease activating factor 1 0.0025 0.0133 0.0124
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0229 0.1061
Loa Loa (eye worm) pax transcription factor protein 2 0.0192 0.1681 0.2646
Giardia lamblia Sgs1 DNA helicase, putative 0.0147 0.1268 0.5
Schistosoma mansoni lamin 0.0021 0.01 0.0091
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0.0021 0.0049
Brugia malayi TAR-binding protein 0.005 0.0372 0.1136
Echinococcus granulosus smad 0.002 0.0093 0.0084
Toxoplasma gondii 3'-5' exonuclease domain-containing protein 0.0044 0.0315 0.1405
Brugia malayi 3'-5' exonuclease family protein 0.0044 0.0315 0.0957
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0038 0.0261 0.0788
Brugia malayi RNA recognition motif domain containing protein 0.005 0.0372 0.1136
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.0053 0.0136
Loa Loa (eye worm) Smad1 0.002 0.0093 0.0133
Loa Loa (eye worm) MH2 domain-containing protein 0.0298 0.2671 0.4211
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.117 0.1162
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0011 0.001 0.0001
Onchocerca volvulus 0.0021 0.01 0.0292
Echinococcus multilocularis protein dispatched 1 0.0047 0.0339 0.033
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.0053 0.0136
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1974 1
Schistosoma mansoni hypothetical protein 0.0424 0.3831 0.3825
Brugia malayi intermediate filament protein 0.0021 0.01 0.0285
Echinococcus multilocularis aryl hydrocarbon receptor 0.004 0.0272 0.0263
Schistosoma mansoni hypothetical protein 0.0064 0.0495 0.0486
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0315 0.0982
Toxoplasma gondii histone lysine methyltransferase SET1 0.0086 0.0701 0.3251
Schistosoma mansoni aryl hydrocarbon receptor 0.0012 0.0019 0.001
Schistosoma mansoni hypothetical protein 0.004 0.0271 0.0262
Brugia malayi nuclear hormone receptor 0.0016 0.0053 0.0136
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.0053 0.0044
Mycobacterium leprae conserved hypothetical protein 0.0044 0.0315 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0053 0.0044
Loa Loa (eye worm) TAR-binding protein 0.005 0.0372 0.0575
Echinococcus multilocularis cpg binding protein 0.0048 0.0349 0.034
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0229 0.1061
Brugia malayi beta-lactamase family protein 0.0035 0.0229 0.0687

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 607 uM Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay ChEMBL. 25438754

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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