Detailed information for compound 1453869

Basic information

Technical information
  • TDR Targets ID: 1453869
  • Name: N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothi oamide
  • MW: 266.359 | Formula: C13H18N2O2S
  • H donors: 1 H acceptors: 0 LogP: 2.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)NC(=S)N1CCCC1
  • InChi: 1S/C13H18N2O2S/c1-16-11-6-5-10(9-12(11)17-2)14-13(18)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,18)
  • InChiKey: RZPGTGKGTHFUAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-dimethoxyphenyl)-1-pyrrolidinecarbothioamide
  • SMR000294217
  • ZINC00610101
  • IVK/1062841
  • MLS000666396

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei trypanothione reductase 0.0075 0.2277 0.7969
Schistosoma mansoni transcription factor btf3 0.0034 0.0832 0.0832
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1055 0.3461
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0172 0.5631 0.5969
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0058 0.1683 0.5778
Echinococcus multilocularis dna polymerase kappa 0.0058 0.1683 0.2645
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0566 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.019 0.0786
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1169 0.1837
Echinococcus multilocularis transcription factor btf3 0.0034 0.0832 0.1307
Trypanosoma cruzi trypanothione reductase, putative 0.0075 0.2277 0.7969
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.136 0.2138
Brugia malayi ImpB/MucB/SamB family protein 0.0084 0.2591 0.5555
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.019 0.0299
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0026 0.0566 0.2446
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0832 0.2639
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.019 0.0299
Brugia malayi beta-lactamase family protein 0.0043 0.1169 0.2505
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0012 0.0019
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0026 0.0566 0.1659
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.2828 0.6061
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0832 0.1783
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1169 0.2505
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0026 0.0566 0.1659
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Trichomonas vaginalis esterase, putative 0.0043 0.1169 0.3881
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.1106 0.1738
Mycobacterium tuberculosis Conserved hypothetical protein 0.0058 0.1683 0.1638
Brugia malayi MH2 domain containing protein 0.0144 0.4665 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1169 0.3881
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.019 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0832 0.2639
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1169 0.3881
Schistosoma mansoni jumonji domain containing protein 0.0078 0.2364 0.2364
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0019 0.0325 0.0697
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1169 0.1837
Treponema pallidum NADH oxidase 0.0026 0.0566 0.5
Leishmania major trypanothione reductase 0.0075 0.2277 0.7969
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0191 0.6297 0.6701
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.3064 0.4816
Mycobacterium tuberculosis Conserved protein 0.0043 0.1169 0.1073
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1595 0.2508
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.019 0.0299
Trypanosoma cruzi trypanothione reductase, putative 0.0026 0.0566 0.1659
Loa Loa (eye worm) hypothetical protein 0.0037 0.0949 0.2034
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1169 0.6316
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0287 0.063
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0832 0.3074
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.1169 0.2505
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0515 0.1471
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0566 0.089
Loa Loa (eye worm) glutathione reductase 0.0075 0.2277 0.4881
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0256 0.0402
Loa Loa (eye worm) hypothetical protein 0.0043 0.1169 0.2505
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1169 0.1073
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1169 0.1169
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0566 0.1659
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.019 0.0273
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.136 0.136
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0515 0.0809
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0256 0.0402
Echinococcus granulosus thioredoxin glutathione reductase 0.0076 0.2312 0.3634
Mycobacterium tuberculosis Probable oxidoreductase 0.0191 0.6297 0.6701
Leishmania major basic transcription factor 3a, putative 0.0034 0.0832 0.2639
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Brugia malayi polk-prov protein 0.0018 0.0287 0.0615
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0699 0.1098
Leishmania major DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Toxoplasma gondii NADPH-glutathione reductase 0.0026 0.0566 0.2446
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0566 0.1214
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1806 0.3871
Trypanosoma brucei DNA polymerase eta, putative 0.0084 0.2591 0.9128
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Toxoplasma gondii ABC1 family protein 0.0043 0.1169 0.5106
Leishmania major hypothetical protein, conserved 0.0043 0.1169 0.3881
Schistosoma mansoni terminal deoxycytidyl transferase 0.0058 0.1683 0.1683
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.1227 0.4098
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.6362 1
Brugia malayi beta-lactamase family protein 0.0043 0.1169 0.2505
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.019 0.0273
Entamoeba histolytica hypothetical protein 0.0038 0.0967 0.3137
Loa Loa (eye worm) hypothetical protein 0.0043 0.1169 0.2505
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0019 0.0325 0.0697
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1169 0.3881
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1169 0.1073
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0566 0.1659
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.136 0.2916
Giardia lamblia DINP protein human, muc B family 0.0058 0.1683 0.5934
Plasmodium vivax thioredoxin reductase, putative 0.0075 0.2277 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0026 0.0566 0.1967
Echinococcus granulosus dna polymerase kappa 0.0058 0.1683 0.2645
Loa Loa (eye worm) hypothetical protein 0.0018 0.0287 0.0615
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.019 0.0408
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.136 0.3107
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.1227 0.4098
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.2828 1
Brugia malayi mbt repeat family protein 0.0049 0.136 0.2916
Giardia lamblia Kinase, PLK 0.0091 0.2828 1
Brugia malayi Bromodomain containing protein 0.003 0.0699 0.1498
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1595 0.2508
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0832 0.2639
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.019 0.0299
Brugia malayi ImpB/MucB/SamB family protein 0.0058 0.1683 0.3607
Schistosoma mansoni DNA helicase recq5 0.001 0.0012 0.0012
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0026 0.0566 0.1659
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0026 0.0566 0.1659
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1169 0.4689
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1169 0.1073
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Loa Loa (eye worm) hypothetical protein 0.0054 0.1546 0.3314
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.1683 0.1638
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0256 0.0549
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0411 0.1761
Schistosoma mansoni hypothetical protein 0.0017 0.0256 0.0256
Mycobacterium tuberculosis Probable reductase 0.0172 0.5631 0.5969
Schistosoma mansoni hypothetical protein 0.0017 0.0256 0.0256
Entamoeba histolytica hypothetical protein 0.0038 0.0967 0.3137
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0967 0.152
Onchocerca volvulus 0.0043 0.1169 0.2208
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0699 0.1098
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0058 0.1683 0.3607
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0191 0.6297 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0917 0.1967
Echinococcus multilocularis thioredoxin glutathione reductase 0.0076 0.2312 0.3634
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1169 0.3881
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.2828 1
Echinococcus granulosus peregrin 0.003 0.0699 0.1098
Schistosoma mansoni hypothetical protein 0.0038 0.0967 0.0967
Trypanosoma brucei unspecified product 0.0058 0.1683 0.5778
Loa Loa (eye worm) hypothetical protein 0.0043 0.1169 0.2505
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0172 0.5631 0.5969
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.2828 0.4444
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0026 0.0566 0.2446
Onchocerca volvulus 0.0049 0.136 0.3107
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9304 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0917 0.0917
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0026 0.0566 0.1801
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.019 0.0273
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.3064 0.4816
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0026 0.0566 0.1801
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0256 0.0549
Trypanosoma brucei unspecified product 0.004 0.1055 0.3461
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1595 0.2508
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0256 0.0402
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0044 0.1196 0.5225
Leishmania major DNA damage repair protein, putative 0.0018 0.0287 0.063
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1169 0.3881
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Plasmodium falciparum DNA repair protein REV1, putative 0.0018 0.0287 0.1213
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0832 0.2639
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.019 0.0786
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0515 0.1471
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1595 0.1595
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.136 0.2138
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.1196 0.3981
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0287 0.063
Brugia malayi jmjC domain containing protein 0.0098 0.3064 0.6569
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0967 0.152
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1169 0.1073
Plasmodium vivax glutathione reductase, putative 0.0075 0.2277 1
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0287 0.063
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0058 0.1683 0.2645
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1546 0.3314
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0566 0.1659
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0018 0.0287 0.1213
Brugia malayi beta-lactamase 0.0043 0.1169 0.2505
Loa Loa (eye worm) hypothetical protein 0.0051 0.1441 0.309
Loa Loa (eye worm) hypothetical protein 0.0043 0.1169 0.2505
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Echinococcus granulosus GPCR family 2 0.0017 0.0256 0.0402
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0026 0.0566 0.2446
Loa Loa (eye worm) hypothetical protein 0.003 0.0699 0.1498
Loa Loa (eye worm) hypothetical protein 0.0043 0.1169 0.2505
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Trypanosoma brucei unspecified product 0.004 0.1055 0.3461
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.2828 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.2828 0.4444
Loa Loa (eye worm) hypothetical protein 0.0017 0.0256 0.0549
Mycobacterium ulcerans DNA polymerase IV 0.0058 0.1683 1
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0287 0.063
Giardia lamblia DNA damage repair protein 0.0018 0.0287 0.0976
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0287 0.063
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.136 0.136
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2828 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1595 0.342
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1169 0.1073
Mycobacterium tuberculosis Probable dehydrogenase 0.0172 0.5631 0.5969
Brugia malayi jmjC domain containing protein 0.0036 0.0917 0.1967
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.019 0.019
Brugia malayi PHD-finger family protein 0.003 0.0699 0.1498
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Mycobacterium tuberculosis Conserved protein 0.0043 0.1169 0.1073
Plasmodium falciparum glutathione reductase 0.0026 0.0566 0.2446
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0832 0.2639
Schistosoma mansoni DNA polymerase IV / kappa 0.0018 0.0287 0.0287
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.019 0.0786
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0699 0.1498
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0012 0.0026
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.2828 0.2828
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0026 0.0566 0.1999
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0287 0.063
Trichomonas vaginalis DNA polymerase eta, putative 0.0058 0.1683 0.5778
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0012 0.0019
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Trypanosoma cruzi DNA polymerase eta, putative 0.0084 0.2591 0.9128
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0917 0.1442
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1169 0.3881
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1055 0.3461
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0832 0.2639
Plasmodium falciparum thioredoxin reductase 0.0075 0.2277 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.6362 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.1683 0.5778
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0832 0.3618
Brugia malayi Thioredoxin reductase 0.0075 0.2277 0.4881
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1169 0.2505
Plasmodium falciparum glutathione reductase 0.0075 0.2277 1
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.136 0.2138
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0335 0.0335
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0058 0.1683 0.1683
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1546 0.3314
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0515 0.1104
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.136 0.136
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1595 0.2508
Brugia malayi beta-NAC-like protein 0.0034 0.0832 0.1783
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1169 0.1169
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.1683 0.5778
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0832 0.2639
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0256 0.0549
Trypanosoma brucei chrX additional, unordered contigs 0.0018 0.0287 0.063
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1055 0.3461
Leishmania major DNA polymerase kappa, putative 0.0018 0.0287 0.063
Loa Loa (eye worm) RecQ helicase 0.0025 0.0515 0.1104
Entamoeba histolytica hypothetical protein 0.0038 0.0967 0.3137
Mycobacterium ulcerans lipase LipD 0.0043 0.1169 0.6316
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0172 0.5631 0.8701
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.019 0.0299
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1169 0.3881
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1169 0.1073
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0917 0.1442
Echinococcus multilocularis GPCR, family 2 0.0017 0.0256 0.0402
Plasmodium falciparum thioredoxin reductase 0.0026 0.0566 0.2446
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0566 0.1659
Echinococcus granulosus dna polymerase eta 0.0084 0.2591 0.4073
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0172 0.5631 0.5969
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.1683 0.5778
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Schistosoma mansoni DNA polymerase eta 0.0084 0.2591 0.2591
Echinococcus multilocularis peregrin 0.003 0.0699 0.1098
Entamoeba histolytica deoxycytidyl transferase, putative 0.0058 0.1683 0.5778
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0026 0.0566 0.1999
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0699 0.0699
Toxoplasma gondii thioredoxin reductase 0.0075 0.2277 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1595 0.342
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0566 0.1659
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0287 0.063
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1169 0.3881
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0058 0.1683 0.2645
Echinococcus multilocularis dna polymerase eta 0.0084 0.2591 0.4073
Echinococcus granulosus bloom syndrome protein 0.0025 0.0515 0.0809
Onchocerca volvulus 0.0043 0.1169 0.2208
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0566 0.0566
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4665 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0026 0.0566 0.0412
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0075 0.2277 0.2289
Schistosoma mansoni kinase 0.0046 0.1269 0.1269
Onchocerca volvulus 0.0043 0.1169 0.2208
Loa Loa (eye worm) hypothetical protein 0.0084 0.2591 0.5555
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1169 0.6316
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0172 0.5631 0.5969
Schistosoma mansoni hypothetical protein 0.0037 0.0949 0.0949
Loa Loa (eye worm) hypothetical protein 0.0124 0.3968 0.8507
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0191 0.6297 0.6701
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0917 0.0917
Schistosoma mansoni DNA helicase recq1 0.001 0.0012 0.0012
Plasmodium vivax DNA repair protein REV1, putative 0.0018 0.0287 0.0464
Echinococcus granulosus transcription factor btf3 0.0034 0.0832 0.1307
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0967 0.0967
Entamoeba histolytica hypothetical protein 0.0038 0.0967 0.3137
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.2828 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0026 0.0566 0.1999
Brugia malayi Isocitrate dehydrogenase 0.0015 0.019 0.0408
Loa Loa (eye worm) hypothetical protein 0.0043 0.1169 0.2505
Trichomonas vaginalis glutathione reductase, putative 0.0026 0.0566 0.1659
Trichomonas vaginalis mercuric reductase, putative 0.0026 0.0566 0.1659
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0012 0.0026
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1169 0.1073
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0018 0.0287 0.1213
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0012 0.0019
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0566 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Brugia malayi glutathione reductase 0.0075 0.2277 0.4881
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0832 0.3618
Trypanosoma brucei polo-like protein kinase 0.0091 0.2828 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0949 0.2034
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0231 0.0965
Giardia lamblia PHD finger protein 15 0.003 0.0699 0.2438
Loa Loa (eye worm) MBCTL1 0.0056 0.1595 0.342
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0012 0.0019
Loa Loa (eye worm) hypothetical protein 0.0049 0.136 0.2916
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0287 0.063
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0012 0.0026
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0699 0.3031
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.2828 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0699 0.3031
Leishmania major DNA polymerase eta, putative 0.0084 0.2591 0.9128
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.136 0.2138
Brugia malayi isocitrate dehydrogenase 0.0015 0.019 0.0408
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1546 0.3314
Schistosoma mansoni hypothetical protein 0.0017 0.0256 0.0256
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0566 0.089
Schistosoma mansoni hypothetical protein 0.0017 0.0256 0.0256
Plasmodium falciparum phd finger protein, putative 0.003 0.0699 0.3031
Echinococcus granulosus jumonji domain containing protein 0.0042 0.1106 0.1738
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.2828 0.6061
Mycobacterium ulcerans hypothetical protein 0.0043 0.1169 0.6316
Leishmania major DNA polymerase eta, putative 0.0044 0.1196 0.3981
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0566 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.1169 0.6316
Entamoeba histolytica hypothetical protein 0.0034 0.0832 0.2639
Loa Loa (eye worm) thioredoxin reductase 0.0075 0.2277 0.4881
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0256 0.0402
Schistosoma mansoni hypothetical protein 0.003 0.0699 0.0699
Brugia malayi hypothetical protein 0.0038 0.0967 0.2073
Mycobacterium tuberculosis Conserved protein 0.0043 0.1169 0.1073
Brugia malayi mbt repeat family protein 0.0049 0.136 0.2916
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0287 0.063
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0012 0.00000000071073
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.019 0.0273
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.019 0.0273
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1683 0.5778
Mycobacterium ulcerans DNA polymerase IV 0.0058 0.1683 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0238 0.0228
Plasmodium vivax hypothetical protein, conserved 0.003 0.0699 0.2436
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.1683 0.5778
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0287 0.063

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 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

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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