Detailed information for compound 18798

Basic information

Technical information
  • TDR Targets ID: 18798
  • Name: 6-chloro-4-(3-methylbut-2-enoxy)-4-(trifluoro methyl)-1H-3,1-benzoxazin-2-one
  • MW: 335.706 | Formula: C14H13ClF3NO3
  • H donors: 1 H acceptors: 1 LogP: 4.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCOC1(OC(=O)Nc2c1cc(Cl)cc2)C(F)(F)F)C
  • InChi: 1S/C14H13ClF3NO3/c1-8(2)5-6-21-13(14(16,17)18)10-7-9(15)3-4-11(10)19-12(20)22-13/h3-5,7H,6H2,1-2H3,(H,19,20)
  • InChiKey: LNSLBESECFQUJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2H-3,1-Benzoxazin-2-one, 6-chloro-1,4-dihydro-4-[(3-methyl-2-butenyl)oxy]-4-(trifluoromethyl)-
  • AIDS-107918
  • AIDS107918

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 isocitrate dehydrogenase 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0042 0.0437 0.0622
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0041 0.0058
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0115 0.1537 0.4775
Echinococcus granulosus zinc finger protein 0.0019 0.0098 0.0098
Schistosoma mansoni hypothetical protein 0.0014 0.0022 0.0003
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0703 1
Entamoeba histolytica Ran family GTPase 0.0021 0.012 0.0265
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0092 0.0092
Brugia malayi isocitrate dehydrogenase 0.0015 0.0041 0.0031
Echinococcus granulosus protein will die slowly 0.0129 0.1759 0.1759
Plasmodium vivax importin-beta 2, putative 0.0028 0.0231 0.366
Schistosoma mansoni lamin 0.0026 0.0204 0.0186
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0022 0.0005
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0148 0.0927
Trichomonas vaginalis ran, putative 0.0021 0.012 0.0073
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1415 1
Schistosoma mansoni lamin 0.0026 0.0204 0.0186
Leishmania major GTP-binding protein, putative 0.0021 0.012 0.0725
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1415 0.1399
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0355 0.4919
Schistosoma mansoni inositol monophosphatase 0.0036 0.0355 0.0337
Loa Loa (eye worm) hypothetical protein 0.0019 0.0092 0.0131
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1415 1
Schistosoma mansoni hypothetical protein 0.0047 0.0515 0.0497
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0092 0.0015
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0243 0.0328
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0355 0.0559
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0349 0.0349
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0399 0.0381
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.006 0.006
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0041 0.0157
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0141 0.0123
Schistosoma mansoni inositol monophosphatase 0.0036 0.0355 0.0337
Loa Loa (eye worm) hypothetical protein 0.0031 0.0278 0.0395
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0085 0.0472
Brugia malayi 6-phosphofructokinase 0.0107 0.1415 0.1992
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0092 0.0524
Echinococcus granulosus lamin dm0 0.0026 0.0204 0.0204
Schistosoma mansoni ap endonuclease 0.0018 0.0085 0.0066
Echinococcus granulosus lamin 0.0026 0.0204 0.0204
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1415 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0115 0.1537 0.4775
Plasmodium vivax aspartyl proteinase, putative 0.005 0.0562 1
Echinococcus granulosus tm gpcr rhodopsin 0.0524 0.7696 0.7696
Schistosoma mansoni zinc finger protein 0.0019 0.0098 0.0079
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0148 0.102
Brugia malayi 6-phosphofructokinase 0.0107 0.1415 0.1992
Echinococcus multilocularis microtubule associated protein 2 0.0677 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0341 0.0323
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0092 0.0092
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0688 0.0688
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0243 0.0328
Brugia malayi hypothetical protein 0.023 0.3267 0.4635
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0092 0.023
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0085 0.057
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0092 0.0621
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0243 0.3284
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0041 0.01
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.012 0.082
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.005 0.0562 0.0562
Brugia malayi Death domain containing protein 0.0014 0.0022 0.0005
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0041 0.0157
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0243 0.3891
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0703 0.0685
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0355 0.0559
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0092 0.0524
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0085 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0355 0.1058
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Echinococcus granulosus snurportin 1 0.0299 0.4311 0.4311
Schistosoma mansoni intermediate filament proteins 0.0026 0.0204 0.0186
Echinococcus granulosus Ankyrin 0.0014 0.0024 0.0024
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0041 0.0041
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0243 0.3284
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0243 0.0328
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0022 0.0022
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0113 0.0161
Loa Loa (eye worm) hypothetical protein 0.0017 0.006 0.0086
Trichomonas vaginalis xanthine dehydrogenase, putative 0.034 0.4926 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0041 0.0157
Schistosoma mansoni importin beta-1 0.0028 0.0231 0.0213
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Entamoeba histolytica hypothetical protein 0.0023 0.0152 0.0503
Onchocerca volvulus 0.0129 0.1759 0.248
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0092 0.0524
Loa Loa (eye worm) hypothetical protein 0.023 0.3267 0.4649
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.005 0.0562 0.0985
Schistosoma mansoni ran 0.0021 0.012 0.0101
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0152 0.0138
Plasmodium falciparum importin beta, putative 0.0028 0.0231 0.366
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.006 0.006
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0014 0.0024 0.0034
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1415 0.2747
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0085 0.0085
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0298 0.1267
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0148 0.0211
Brugia malayi RNA, U transporter 1 0.008 0.1009 0.1412
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0092 0.0332
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Giardia lamblia DINP protein human, muc B family 0.0019 0.0092 0.0024
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0148 0.0407
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.006 0.0042
Echinococcus multilocularis ceramide glucosyltransferase 0.0479 0.7028 0.7028
Schistosoma mansoni zinc finger protein 0.0015 0.0035 0.0016
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1415 0.439
Brugia malayi hypothetical protein 0.0035 0.0341 0.046
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0092 0.0621
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0243 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0341 0.1927
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0298 0.2
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1415 0.1399
Echinococcus multilocularis musashi 0.0026 0.0204 0.0204
Onchocerca volvulus 0.0026 0.0204 0.026
Brugia malayi Will die slowly protein 0.0129 0.1759 0.2483
Plasmodium falciparum plasmepsin VI 0.005 0.0562 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0092 0.0131
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0041 0.0041
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0022 0.0003
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0065 0.0787 0.2414
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.016 0.2222 0.6928
Echinococcus granulosus dna polymerase kappa 0.0019 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0069 0.085 0.1209
Plasmodium vivax plasmepsin IV, putative 0.005 0.0562 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0092 0.0332
Loa Loa (eye worm) hypothetical protein 0.0311 0.4494 0.6395
Echinococcus multilocularis 0.0014 0.0019 0.0019
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0041 0.0321
Leishmania major cytochrome p450-like protein 0.0022 0.0148 0.0927
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0092 0.023
Echinococcus granulosus dna polymerase eta 0.0019 0.0092 0.0092
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1415 0.6336
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0065 0.0787 0.2414
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0231 0.3109
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0141 0.0141
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0085 0.0472
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0115 0.1537 0.6891
Brugia malayi Inositol-1 0.0036 0.0355 0.048
Trichomonas vaginalis xanthine dehydrogenase, putative 0.034 0.4926 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0204 0.029
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0014 0.0019 0.0102
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.012 0.0118
Loa Loa (eye worm) cytochrome P450 0.0014 0.0019 0.0027
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0101 0.1326 0.4112
Echinococcus multilocularis zinc finger protein 0.0019 0.0098 0.0098
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0092 0.0092
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0703 0.4899
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0243 0.3284
Brugia malayi Uncoordinated protein 44 0.0014 0.0022 0.0005
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0092 0.0524
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0341 0.0341
Plasmodium falciparum plasmepsin IV 0.005 0.0562 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0092 0.0092
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0243 0.0529
Schistosoma mansoni survival motor neuron protein 0.0047 0.0515 0.0497
Trypanosoma cruzi ISWI complex protein 0.0015 0.0035 0.0114
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0065 0.0787 0.3485
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0041 0.0041
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0243 0.1193
Loa Loa (eye worm) hypothetical protein 0.004 0.0409 0.0582
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0349 0.0497
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0243 0.0328
Trichomonas vaginalis WD repeat domain, putative 0.0129 0.1759 0.3459
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1415 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0243 0.0328
Brugia malayi Cytochrome P450 family protein 0.0022 0.0148 0.0185
Schistosoma mansoni ran 0.0021 0.012 0.0101
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1415 0.2013
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0243 0.3891
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.005 0.0562 0.0544
Trypanosoma brucei ISWI complex protein 0.0015 0.0035 0.0215
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0041 0.0022
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1415 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0338 0.0338
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0524 0.7696 0.7696
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0243 0.1193
Schistosoma mansoni ceramide glucosyltransferase 0.0479 0.7028 0.7022
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0338 0.0338
Onchocerca volvulus 0.0026 0.0204 0.026
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.012 0.0171
Echinococcus multilocularis Ankyrin 0.0014 0.0024 0.0024
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0148 0.0211
Schistosoma mansoni cathepsin D (A01 family) 0.0147 0.2026 0.2011
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0355 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0703 0.0703
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0314 0.0473
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1415 0.2747
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0703 0.0703
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0703 0.0685
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0204 0.0264
Giardia lamblia Ceramide glucosyltransferase 0.0217 0.3082 1
Schistosoma mansoni hypothetical protein 0.0299 0.4311 0.43
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1415 0.2013
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0021 0.0003
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0314 0.0473
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0129 0.1759 0.1744
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0148 0.0927
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0024 0.0005
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0355 0.0559
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0092 0.0054
Leishmania major hypothetical protein, conserved 0.0015 0.0035 0.0114
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0092 0.0621
Brugia malayi Cytochrome P450 family protein 0.0022 0.0148 0.0185
Entamoeba histolytica hypothetical protein 0.0035 0.0341 0.1927
Schistosoma mansoni microtubule-associated protein tau 0.0677 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0231 0.0329
Loa Loa (eye worm) WD40 repeat protein 0.0129 0.1759 0.2504
Echinococcus granulosus survival motor neuron protein 1 0.023 0.3267 0.3267
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0085 0.0844
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0225 0.3199 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0562 0.0799
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1415 0.2747
Echinococcus multilocularis lamin dm0 0.0026 0.0204 0.0204
Schistosoma mansoni bromodomain containing protein 0.0062 0.074 0.0723
Echinococcus multilocularis snurportin 1 0.0299 0.4311 0.4311
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0341 0.0323
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0092 0.0524
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.3357 0.4777
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0703 0.3104
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0041 0.0258
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Brugia malayi Cytochrome P450 family protein 0.0051 0.0582 0.0804
Toxoplasma gondii exonuclease III APE 0.0018 0.0085 0.0964
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.012 0.1522
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.012 0.012
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0085 0.0094
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0355 0.2409
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0148 0.0211
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0041 0.0321
Trypanosoma cruzi ISWI complex protein 0.0015 0.0035 0.0114
Entamoeba histolytica hypothetical protein 0.0035 0.0341 0.1927
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1415 0.1415
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0355 0.0355
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.012 0.1522
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0355 0.0355
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0515 0.0708
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.012 0.1481
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0085 0.0085
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0703 0.215
Plasmodium falciparum plasmepsin I 0.005 0.0562 1
Schistosoma mansoni ceramide glucosyltransferase 0.0479 0.7028 0.7022
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0399 0.0381
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0092 0.0524
Leishmania major DNA polymerase kappa, putative 0.0019 0.0092 0.0524
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0092 0.0073
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0243 0.3891
Leishmania major DNA polymerase eta, putative 0.0019 0.0092 0.0524
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0231 0.1609
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0092 0.0621
Loa Loa (eye worm) inositol-1 0.0036 0.0355 0.0505
Plasmodium falciparum plasmepsin II 0.005 0.0562 1
Onchocerca volvulus 0.0047 0.0515 0.0704
Mycobacterium ulcerans hypothetical protein 0.0055 0.0641 0.1958
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0897 0.0897
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0243 0.3891
Echinococcus granulosus importin subunit beta 1 0.0028 0.0231 0.0231
Loa Loa (eye worm) ceramide glucosyltransferase 0.0479 0.7028 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0355 0.2409
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0041 0.0041
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1415 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0092 0.0015
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0092 0.0104
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.006 0.006
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0141 0.0141
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.3267 0.3267
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0355 0.2409
Brugia malayi Bromodomain containing protein 0.0073 0.0913 0.1275
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0085 0.0844
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.005 0.0562 0.7937
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0231 0.1609
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.012 0.0725
Schistosoma mansoni netrin receptor unc5 0.0014 0.0022 0.0003
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1415 0.2013
Brugia malayi Ceramide glucosyltransferase 0.0479 0.7028 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0021 0.003
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0243 0.5
Brugia malayi Bromodomain containing protein 0.0037 0.0373 0.0505
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0479 0.7028 1
Treponema pallidum hypothetical protein 0.0045 0.0495 0.3082
Brugia malayi phosphofructokinase 0.0107 0.1415 0.1992
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1415 0.1415
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.006 0.006
Brugia malayi intermediate filament protein 0.0026 0.0204 0.0264
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0041 0.0258
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0349 0.0349
Echinococcus granulosus death domain containing protein 0.0014 0.0022 0.0022
Trichomonas vaginalis aldehyde oxidase, putative 0.034 0.4926 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0022 0.0031
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.006 0.0042
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0069 0.0099
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0204 0.029
Echinococcus multilocularis protein will die slowly 0.0129 0.1759 0.1759
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0703 0.215
Loa Loa (eye worm) aspartic protease BmAsp-2 0.005 0.0562 0.0799
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1415 0.2747
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0688 0.0688
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0355 0.2033
Schistosoma mansoni DNA polymerase eta 0.0019 0.0092 0.0073
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1415 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.006 0.0042
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0026 0.0204 0.029
Trypanosoma brucei unspecified product 0.0019 0.0092 0.0621
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1415 1
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.0019 0.0019
Brugia malayi PHD-finger family protein 0.0024 0.0176 0.0224
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.0031
Treponema pallidum hypothetical protein 0.0055 0.0641 0.4186
Echinococcus granulosus intermediate filament protein 0.0026 0.0204 0.0204
Schistosoma mansoni ap endonuclease 0.0018 0.0085 0.0066
Brugia malayi follicle stimulating hormone receptor 0.0236 0.3357 0.4763
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.016 0.2222 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0897 0.0897
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.012 0.0144
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0092 0.0073
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0582 0.0828
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.006 0.0042
Echinococcus granulosus ceramide glucosyltransferase 0.0479 0.7028 0.7028
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0243 0.0328
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.005 0.0562 0.0562
Echinococcus multilocularis lamin 0.0026 0.0204 0.0204
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0243 0.0328
Brugia malayi hypothetical protein 0.0119 0.1607 0.2266
Loa Loa (eye worm) hypothetical protein 0.0037 0.0374 0.0532
Entamoeba histolytica hypothetical protein 0.0035 0.0341 0.1927
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0041 0.0041
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.4311 0.6134
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0341 0.0341
Leishmania major importin beta-1 subunit, putative 0.0023 0.0152 0.0952
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0085 0.0207
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0092 0.0104
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0355 0.2487
Brugia malayi Protein kinase domain containing protein 0.0014 0.0022 0.0005
Brugia malayi Importin beta-1 subunit 0.0028 0.0231 0.0303
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0085 0.0121
Loa Loa (eye worm) hypothetical protein 0.0026 0.0197 0.028
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0152 0.0138
Toxoplasma gondii aspartyl protease ASP1 0.005 0.0562 0.7937
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0349 0.0471
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0085 0.0472
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0152 0.0138
Schistosoma mansoni hypothetical protein 0.002 0.0113 0.0095
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0703 0.215
Schistosoma mansoni cathepsin D (A01 family) 0.0147 0.2026 0.2011
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0041 0.0031
Treponema pallidum quinoline 2-oxidoreductase 0.0054 0.0622 0.404
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0092 0.0621
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.016 0.2222 0.6928
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.012 0.0725
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.012 0.012
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0015 0.0035 0.0016
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0152 0.0952

Activities

Activity type Activity value Assay description Source Reference
IC90 (functional) = 2.68 nM Antiviral activity of the compound was evaluated against wild-type HIV-1 virus ChEMBL. 11354371
IC90 (functional) = 83 nM Antiviral activity of the compound was evaluated against K103N mutant HIV-1 virus ChEMBL. 11354371
IC90 (functional) = 83 nM Antiviral activity of the compound was evaluated against K103N mutant HIV-1 virus ChEMBL. 11354371

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

1 literature reference was collected for this gene.

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