Detailed information for compound 1417269

Basic information

Technical information
  • TDR Targets ID: 1417269
  • Name: N-(4-fluorophenyl)piperidine-1-carbothioamide
  • MW: 238.324 | Formula: C12H15FN2S
  • H donors: 1 H acceptors: 0 LogP: 2.66 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCCCC1)Nc1ccc(cc1)F
  • InChi: 1S/C12H15FN2S/c13-10-4-6-11(7-5-10)14-12(16)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,16)
  • InChiKey: ZJPPQKWWTJDFPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-1-piperidinecarbothioamide
  • MLS000573868
  • SMR000195457
  • ZINC00455156

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0271 0.035
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4366 0.4327
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.005 0.1315 0.2077
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.192 0.6254
Echinococcus multilocularis tar DNA binding protein 0.0129 0.4366 0.7291
Loa Loa (eye worm) hypothetical protein 0.0024 0.0271 0.0234
Loa Loa (eye worm) hypothetical protein 0.005 0.1315 0.1282
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0271 0.0234
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0035 0.0725 0.066
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0497 0.0401
Echinococcus granulosus tar DNA binding protein 0.0129 0.4366 0.7291
Echinococcus multilocularis zinc finger protein 0.0027 0.0409 0.0529
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.087 0.2631
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0152 0.0089
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.112 0.1031
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0497 0.1446
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.192 0.3111
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0035 0.0725 0.2216
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0271 0.0684
Schistosoma mansoni hypothetical protein 0.0081 0.2506 0.2455
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0271 0.0587
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.3028 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0085 0.2684 0.4417
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0035 0.0725 0.0934
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0152 0.0083
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.3028 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.2301 0.3763
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.7458 0.7448
Brugia malayi Pre-SET motif family protein 0.003 0.0511 0.0415
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0099 0.0062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.4366 0.4344
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.112 0.4121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0725 0.1068
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0099 0.0062
Brugia malayi Bromodomain containing protein 0.0094 0.3023 0.2953
Loa Loa (eye worm) bromodomain containing protein 0.0025 0.0319 0.0282
Mycobacterium ulcerans glutaminase 0.0273 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0194 0.6913 0.8912
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4366 0.4327
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0215 0.7757 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0035 0.0725 0.2615
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0497 0.0461
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0497 0.0679
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.5107 0.8558
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0497 0.0401
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0497 0.0431
Onchocerca volvulus 0.003 0.0511 0.0288
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0099 0.0062
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0099 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Leishmania major trypanothione reductase 0.0085 0.2664 0.8769
Schistosoma mansoni hypothetical protein 0.0025 0.032 0.0253
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0035 0.0725 0.2615
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0271 0.0587
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.2301 0.3763
Brugia malayi latrophilin 2 splice variant baaae 0.0175 0.6173 0.6134
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0497 0.1446
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.3028 0.298
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0497 0.1446
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.117 0.1081
Trypanosoma brucei trypanothione reductase 0.0085 0.2664 0.8769
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0038 0.0049
Echinococcus granulosus thioredoxin glutathione reductase 0.0085 0.2684 0.4417
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.192 0.1839
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.087 0.2631
Loa Loa (eye worm) hypothetical protein 0.0024 0.0271 0.0234
Schistosoma mansoni hypothetical protein 0.0081 0.2506 0.2455
Brugia malayi Bromodomain containing protein 0.005 0.1292 0.1204
Schistosoma mansoni zinc finger protein 0.0027 0.0409 0.0342
Schistosoma mansoni bromodomain containing protein 0.008 0.247 0.2418
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0725 0.2216
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0497 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0497 0.0401
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0497 0.0679
Loa Loa (eye worm) hypothetical protein 0.0081 0.2506 0.2478
Brugia malayi Calcitonin receptor-like protein seb-1 0.0256 0.9332 0.9325
Echinococcus multilocularis isocitrate dehydrogenase 0.0035 0.0725 0.1068
Brugia malayi isocitrate dehydrogenase 0.0035 0.0725 0.0631
Onchocerca volvulus 0.0236 0.8578 1
Loa Loa (eye worm) TAR-binding protein 0.0129 0.4366 0.4344
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0099 0.0031
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0152 0.0083
Mycobacterium ulcerans hypothetical protein 0.0024 0.0271 0.0234
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.2506 0.4114
Brugia malayi glutathione reductase 0.0085 0.2664 0.259
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0271 0.0234
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4366 0.4327
Brugia malayi RNA binding protein 0.0129 0.4366 0.4309
Giardia lamblia Kinase, PLK 0.0094 0.3028 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0215 0.7757 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1042 0.1611
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0194 0.6913 0.8872
Echinococcus granulosus histone lysine methyltransferase setb 0.005 0.1315 0.2077
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.192 0.6254
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0411 0.0532
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0099 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0035 0.0725 0.1068
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0271 0.0234
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0271 0.035
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0194 0.6913 0.8912
Toxoplasma gondii thioredoxin reductase 0.0085 0.2664 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0271 0.0684
Brugia malayi Pre-SET motif family protein 0.0208 0.7458 0.7432
Loa Loa (eye worm) RNA binding protein 0.0129 0.4366 0.4344
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.3028 0.5006
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0468 0.063
Treponema pallidum NADH oxidase 0.0029 0.0497 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0035 0.0725 0.2216
Echinococcus multilocularis GPCR, family 2 0.0081 0.2506 0.4114
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0271 0.0174
Loa Loa (eye worm) glutaminase 0.0273 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0194 0.6913 0.8912
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0152 0.0089
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0192 0.0093
Schistosoma mansoni glutaminase 0.0273 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Loa Loa (eye worm) hypothetical protein 0.0055 0.1497 0.1465
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0836 0.126
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.192 0.6215
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.112 0.2876
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0271 0.0684
Echinococcus granulosus zinc finger protein 0.0027 0.0409 0.0529
Mycobacterium tuberculosis Probable dehydrogenase 0.0194 0.6913 0.8912
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0497 0.1748
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.1315 0.1255
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.192 0.1889
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.112 0.1744
Echinococcus multilocularis geminin 0.0169 0.5951 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.3028 0.5006
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.3028 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1042 0.1611
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0497 0.0461
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.192 0.1864
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Loa Loa (eye worm) acetyltransferase 0.0147 0.5107 0.5089
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0497 0.1446
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.192 0.6254
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0497 0.1446
Plasmodium falciparum glutathione reductase 0.0029 0.0497 0.1748
Loa Loa (eye worm) hypothetical protein 0.0175 0.6173 0.6158
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0099 0.0103
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0271 0.0234
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0062
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.3028 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0497 0.1446
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0497 0.1748
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.112 0.2876
Trichomonas vaginalis glutaminase, putative 0.0273 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.2506 0.4114
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0497 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0511 0.0703
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0497 0.1446
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Echinococcus granulosus geminin 0.0169 0.5951 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.112 0.1031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.1315 0.1255
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Loa Loa (eye worm) hypothetical protein 0.0046 0.1157 0.1123
Plasmodium falciparum thioredoxin reductase 0.0085 0.2664 1
Trypanosoma brucei polo-like protein kinase 0.0094 0.3028 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Plasmodium vivax glutathione reductase, putative 0.0085 0.2664 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0085 0.2664 0.3434
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0099 0.0103
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.4837 0.8097
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.5107 0.5058
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.117 0.1081
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.192 0.6254
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0271 0.0234
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0271 0.0587
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0725 0.1068
Brugia malayi PHD-finger family protein 0.0034 0.0661 0.0567
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0099 0.0031
Brugia malayi Latrophilin receptor protein 2 0.0081 0.2506 0.2431
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.192 0.3111
Schistosoma mansoni hypothetical protein 0.0081 0.2506 0.2455
Brugia malayi Thioredoxin reductase 0.0085 0.2664 0.259
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0256 0.9332 0.9325
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0271 0.0174
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0836 0.126
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0497 0.0461
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.4 0.3977
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0215 0.7757 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0497 0.5
Brugia malayi Isocitrate dehydrogenase 0.0035 0.0725 0.0631
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0497 0.1748
Trypanosoma cruzi trypanothione reductase, putative 0.0085 0.2664 0.8769
Schistosoma mansoni hypothetical protein 0.0169 0.5951 0.5923
Trichomonas vaginalis set domain proteins, putative 0.0236 0.8578 0.8564
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0725 0.1051
Mycobacterium tuberculosis Probable reductase 0.0194 0.6913 0.8912
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0271 0.0234
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0497 0.1356
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Loa Loa (eye worm) isocitrate dehydrogenase 0.0035 0.0725 0.0689
Plasmodium falciparum glutathione reductase 0.0085 0.2664 1
Schistosoma mansoni hypothetical protein 0.0081 0.2506 0.2455
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.2506 0.2478
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.5107 0.5073
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0271 0.0174
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0725 0.1068
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4366 0.4327
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0099 0.0103
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.3028 0.3002
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0497 0.1446
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0511 0.0064
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0099 0.0103
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0725 0.2216
Loa Loa (eye worm) glutathione reductase 0.0085 0.2664 0.2636
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0497 0.1748
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0099 0.0128
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.4 0.3977
Schistosoma mansoni kinase 0.0048 0.1218 0.1157
Schistosoma mansoni hypothetical protein 0.0169 0.5951 0.5923
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.032 0.0284
Brugia malayi glutaminase DH11.1 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0271 0.0234
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.2506 0.4114
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.2506 0.2431
Schistosoma mansoni DNA polymerase eta 0.0019 0.0099 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4366 0.4327
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.3028 0.3319
Trypanosoma brucei unspecified product 0.0019 0.0099 0.0103
Loa Loa (eye worm) hypothetical protein 0.0085 0.2683 0.2655
Plasmodium falciparum thioredoxin reductase 0.0029 0.0497 0.1748
Loa Loa (eye worm) thioredoxin reductase 0.0085 0.2664 0.2636
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0256 0.9332 0.9329
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.3028 0.2958
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0411 0.0532
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0725 0.1051
Plasmodium vivax thioredoxin reductase, putative 0.0085 0.2664 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0099 0.0128
Loa Loa (eye worm) hypothetical protein 0.0053 0.1407 0.1374
Brugia malayi TAR-binding protein 0.0129 0.4366 0.4309
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0497 0.1446
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0271 0.0234
Brugia malayi MH2 domain containing protein 0.0119 0.4 0.3939
Schistosoma mansoni hypothetical protein 0.0175 0.6173 0.6146
Leishmania major DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Plasmodium vivax SET domain protein, putative 0.003 0.0511 0.1801
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.2506 0.4114
Leishmania major DNA polymerase eta, putative 0.0019 0.0099 0.0103
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0511 0.0445
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0411 0.0344
Mycobacterium tuberculosis Probable oxidoreductase 0.0215 0.7757 1
Echinococcus granulosus GPCR family 2 0.0081 0.2506 0.4114
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0497 0.064
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.087 0.3169
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0725 0.2216
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0192 0.0093
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.4366 0.4309
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0035 0.0725 0.1068
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0511 0.0445
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0497 0.1446
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0194 0.6913 0.8912
Loa Loa (eye worm) hypothetical protein 0.0256 0.9332 0.9329
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0099 0.0103
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.3028 0.2958

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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