Detailed information for compound 1296395

Basic information

Technical information
  • TDR Targets ID: 1296395
  • Name: 3-[[2,2,2-trichloro-1-(phenylmethoxycarbonyla mino)ethyl]carbamothioylamino]benzoic acid
  • MW: 476.761 | Formula: C18H16Cl3N3O4S
  • H donors: 3 H acceptors: 3 LogP: 4.52 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(C(Cl)(Cl)Cl)N=C(Nc1cccc(c1)C(=O)O)S)OCc1ccccc1
  • InChi: 1S/C18H16Cl3N3O4S/c19-18(20,21)15(24-17(27)28-10-11-5-2-1-3-6-11)23-16(29)22-13-8-4-7-12(9-13)14(25)26/h1-9,15H,10H2,(H,24,27)(H,25,26)(H2,22,23,29)
  • InChiKey: AXIUWEFVSZJIOG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[thioxo-[[2,2,2-trichloro-1-[[oxo-(phenylmethoxy)methyl]amino]ethyl]amino]methyl]amino]benzoic acid
  • 3-[[1-(benzyloxycarbonylamino)-2,2,2-trichloro-ethyl]thiocarbamoylamino]benzoic acid
  • SMR000194271
  • CBMicro_046810
  • BIM-0046796.P001
  • 3-({[(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trichloroethyl)amino]carbonothioyl}amino)benzoic acid
  • MLS000572310

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0019 0.0205 0.0139
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0282 0.0372
Echinococcus multilocularis musashi 0.0027 0.0496 0.048
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0091 0.2637 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0915 0.0855
Brugia malayi orphan nuclear receptor NR2E1 0.0019 0.0205 0.0139
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0282 0.0268
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0496 0.0496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1062 0.1057
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0915 0.0909
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0019 0.0205 0.0188
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0355 0.017
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0915 0.0729
Loa Loa (eye worm) hypothetical protein 0.0021 0.0281 0.0281
Echinococcus granulosus histone acetyltransferase KAT2B 0.0301 0.9708 0.9805
Schistosoma mansoni thyroid hormone receptor 0.0168 0.5238 0.514
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.0915 0.0915
Loa Loa (eye worm) hypothetical protein 0.0021 0.0281 0.0281
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0019 0.0205 0.0188
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Brugia malayi tailless protein 0.0019 0.0205 0.0139
Loa Loa (eye worm) glutaminase 2 0.0272 0.8744 0.8744
Schistosoma mansoni intermediate filament proteins 0.0027 0.0496 0.0301
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0282 0.0372
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0785 0.0596
Schistosoma mansoni nuclear hormone receptor 0.004 0.0915 0.0729
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0915 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0915 0.0855
Brugia malayi nuclear hormone receptor 0.0019 0.0205 0.0139
Schistosoma mansoni lamin 0.0027 0.0496 0.0301
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0496 0.0433
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0915 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0915 0.0855
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0785 0.0769
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0205 0.0139
Plasmodium vivax importin-beta 2, putative 0.0029 0.0538 0.1381
Loa Loa (eye worm) DR-78 0.0019 0.0205 0.0205
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0205 0.0188
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0282 0.0266
Schistosoma mansoni hypothetical protein 0.0164 0.5095 0.4995
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.0915 0.0915
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.0915 0.0855
Echinococcus multilocularis snurportin 1 0.0307 0.99 0.99
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.3892 0.3921
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0282 0.5279
Brugia malayi glutaminase DH11.1 0.0272 0.8744 0.8735
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0201 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Schistosoma mansoni nuclear receptor 0.0019 0.0205 0.0004
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0496 0.0496
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0915 0.0855
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0915 0.0729
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0785 0.0596
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0915 0.09
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Loa Loa (eye worm) hypothetical protein 0.0013 0.0017 0.0017
Loa Loa (eye worm) glutaminase 0.0272 0.8744 0.8744
Brugia malayi Pre-SET motif family protein 0.0251 0.8039 0.8026
Schistosoma mansoni hypothetical protein 0.0307 0.99 0.9898
Entamoeba histolytica hypothetical protein 0.0037 0.0805 0.2771
Brugia malayi hypothetical protein 0.0021 0.0281 0.0216
Brugia malayi nuclear hormone receptor 0.004 0.0915 0.0855
Brugia malayi Pre-SET motif family protein 0.0036 0.0785 0.0723
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0282 0.5279
Brugia malayi Steroid receptor seven-up type 2 0.004 0.0915 0.0855
Brugia malayi conserved hypotetical protein 0.0019 0.0205 0.0139
Echinococcus granulosus nuclear receptor nhr 48 0.0019 0.0205 0.019
Brugia malayi nuclear receptor RXR 0.0021 0.0281 0.0216
Schistosoma mansoni importin beta-1 0.0029 0.0538 0.0343
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.0915 0.09
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.3892 0.3882
Entamoeba histolytica hypothetical protein 0.0037 0.0805 0.2771
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.0915 0.0855
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0805 0.0798
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0915 0.0909
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.0915 0.0909
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1062 0.1002
Echinococcus granulosus lamin 0.0027 0.0496 0.0485
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0915 0.09
Entamoeba histolytica Ran family GTPase 0.0021 0.0282 0.0372
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0915 0.09
Echinococcus multilocularis FTZ F1 alpha 0.004 0.0915 0.09
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0538 0.1381
Mycobacterium ulcerans glutaminase 0.0272 0.8744 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0282 0.2408
Echinococcus multilocularis lamin 0.0027 0.0496 0.048
Entamoeba histolytica acetyltransferase, GNAT family 0.0083 0.2382 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0785 0.0769
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0785 0.0596
Plasmodium falciparum histone acetyltransferase GCN5 0.0083 0.2382 1
Schistosoma mansoni ran 0.0021 0.0282 0.0083
Onchocerca volvulus 0.0027 0.0496 0.0324
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.0205 0.019
Loa Loa (eye worm) hypothetical protein 0.0021 0.0281 0.0281
Brugia malayi intermediate filament protein 0.0027 0.0496 0.0433
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.0915 0.0915
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.99 0.99
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.3576 0.3576
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0201 0.0136
Onchocerca volvulus 0.0036 0.0785 0.0644
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1062 0.1062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0915 0.0909
Brugia malayi MH2 domain containing protein 0.0119 0.3576 0.3534
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.0915 0.0915
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0355 0.017
Entamoeba histolytica hypothetical protein 0.0037 0.0805 0.2771
Echinococcus granulosus importin subunit beta 1 0.0029 0.0538 0.0527
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0019 0.0205 0.019
Echinococcus granulosus intermediate filament protein 0.0027 0.0496 0.0485
Schistosoma mansoni hypothetical protein 0.0037 0.0805 0.0617
Schistosoma mansoni ran 0.0021 0.0282 0.0083
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0538 1
Echinococcus granulosus geminin 0.0164 0.5095 0.5139
Brugia malayi nuclear receptor NHR-88 0.004 0.0915 0.0855
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.0205 0.0188
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0201 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.0915 0.0855
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1062 0.1057
Echinococcus granulosus thyroid hormone receptor alpha 0.0019 0.0205 0.019
Leishmania major importin beta-1 subunit, putative 0.0023 0.0355 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0282 0.0333
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.0915 0.0855
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0785 0.0777
Brugia malayi ecdysteroid receptor 0.004 0.0915 0.0855
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0205 0.0004
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.0205 0.0188
Brugia malayi hypothetical protein 0.0019 0.0205 0.0139
Brugia malayi hypothetical protein 0.0021 0.0281 0.0216
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0355 0.017
Loa Loa (eye worm) steroid hormone receptor 0.004 0.0915 0.0915
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0785 0.0596
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.0915 0.0789
Giardia lamblia Histone acetyltransferase GCN5 0.0083 0.2382 1
Brugia malayi hypothetical protein 0.0037 0.0805 0.0744
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0805 0.0617
Brugia malayi nuclear hormone receptor family member odr-7 0.0019 0.0205 0.0139
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0915 0.0909
Schistosoma mansoni glutaminase 0.0272 0.8744 0.8718
Brugia malayi nuclear receptor NHR-67 0.0019 0.0205 0.0139
Loa Loa (eye worm) nuclear receptor NHR-67 0.0019 0.0205 0.0205
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0205 0.0139
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0019 0.0205 0.0205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1062 0.0878
Echinococcus granulosus FTZ F1 alpha 0.004 0.0915 0.0909
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.0915 0.0855
Trichomonas vaginalis bromodomain-containing protein, putative 0.0091 0.2637 0.2704
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.0915 0.0915
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Loa Loa (eye worm) hypothetical protein 0.0021 0.0281 0.0281
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0785 0.2396
Echinococcus multilocularis thyroid hormone receptor alpha 0.0168 0.5238 0.523
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0282 0.0333
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0281 0.0267
Echinococcus granulosus lamin dm0 0.0027 0.0496 0.0485
Brugia malayi nuclear hormone receptor family member nhr-6 0.0019 0.0205 0.0139
Echinococcus multilocularis geminin 0.0164 0.5095 0.5087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0915 0.0855
Onchocerca volvulus Bile acid receptor homolog 0.004 0.0915 0.0789
Loa Loa (eye worm) hypothetical protein 0.0029 0.0538 0.0538
Leishmania major GTP-binding protein, putative 0.0021 0.0282 0.5279
Onchocerca volvulus 0.004 0.0915 0.0789
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.0205 0.019
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0091 0.2637 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0282 0.0282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1062 0.1046
Echinococcus multilocularis lamin dm0 0.0027 0.0496 0.048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0915 0.0855
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0201 0.0186
Brugia malayi ecdysone receptor 0.0019 0.0205 0.0139
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0355 1
Schistosoma mansoni nuclear receptor nhr-48 0.0019 0.0205 0.0004
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0915 0.0729
Schistosoma mansoni hypothetical protein 0.0164 0.5095 0.4995
Echinococcus multilocularis nuclear receptor nhr 48 0.0019 0.0205 0.0188
Trichomonas vaginalis ran, putative 0.0021 0.0282 0.009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0785 0.0785
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0019 0.0205 0.0139
Brugia malayi Importin beta-1 subunit 0.0029 0.0538 0.0475
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0201 0.0201
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0281 0.0081
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Schistosoma mansoni lamin 0.0027 0.0496 0.0301
Brugia malayi RNA, U transporter 1 0.0082 0.2322 0.2271
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.0915 0.0789
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.074 0.0732
Echinococcus granulosus snurportin 1 0.0307 0.99 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0201 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0805 0.079
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8039 0.8039
Schistosoma mansoni zinc finger protein 0.0019 0.0205 0.0004
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0538 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0915 0.09
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.0915 0.0729
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0066 0.0066
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0915 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.0915 0.0855
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0282 0.0218
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0281 0.0216
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.0915 0.0855
Loa Loa (eye worm) hypothetical protein 0.0027 0.0496 0.0496
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0915 0.0729
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0915 0.09
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.3576 0.3576
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0915 0.0909
Plasmodium vivax SET domain protein, putative 0.0036 0.0785 0.2396
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0205 0.0004
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0019 0.0205 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1062 0.0878
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0915 0.09
Entamoeba histolytica hypothetical protein 0.0023 0.0355 0.0704
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.0915 0.0855
Schistosoma mansoni hypothetical protein 0.0128 0.3892 0.3767
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0091 0.2637 0.2704
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0281 0.0264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.0915 0.0915
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0281 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.0915 0.0915
Onchocerca volvulus 0.0027 0.0496 0.0324
Trichomonas vaginalis glutaminase, putative 0.0272 0.8744 0.9483
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.004 0.0915 0.0915
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0915 0.0855
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0915 0.0729
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0915 0.0909
Onchocerca volvulus 0.0286 0.9209 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0201 0.0185
Echinococcus granulosus histone acetyltransferase KAT2B 0.0091 0.2637 0.2651
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0091 0.2637 1
Schistosoma mansoni thyroid hormone receptor 0.0168 0.5238 0.514
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0021 0.0281 0.0281
Schistosoma mansoni coup transcription factor 0.004 0.0915 0.0729
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0915 0.0909
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0281 0.0216
Brugia malayi nuclear receptor RXR 0.0019 0.0205 0.0139
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0019 0.0205 0.0004
Entamoeba histolytica hypothetical protein 0.0037 0.0805 0.2771
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1062 0.0878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1062 0.1046
Plasmodium falciparum importin beta, putative 0.0029 0.0538 0.1543
Brugia malayi steroid hormone receptor 0.004 0.0915 0.0855
Loa Loa (eye worm) hypothetical protein 0.0027 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0019 0.0205 0.0205
Brugia malayi nuclear receptor NHR-88 0.0019 0.0205 0.0139
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0205 0.019
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0538 0.0522
Loa Loa (eye worm) nuclear hormone receptor 0.0019 0.0205 0.0205
Schistosoma mansoni nuclear receptor 0.0019 0.0205 0.0004
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9209 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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