Detailed information for compound 1212185

Basic information

Technical information
  • TDR Targets ID: 1212185
  • Name: N5-(4-chlorobenzoyl)-4-methyl-4,5,6,7-tetrahy drothieno[3,2-c]pyridine-5-carboxamide
  • MW: 334.821 | Formula: C16H15ClN2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NC(=O)N1CCc2c(C1C)ccs2
  • InChi: 1S/C16H15ClN2O2S/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)
  • InChiKey: WGQINEYXJOMCCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000457834
  • Oprea1_708165
  • DFP 00205
  • MLS000851391

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0876
Toxoplasma gondii ABC1 family protein 0.0035 0.0269 0.209
Loa Loa (eye worm) hypothetical protein 0.003 0.0205 0.0667
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0269 0.209
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0109 0.0355
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0876
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0487 0.0483
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0262 0.0543
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0254 0.0241
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0038 0.0123
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.028 0.2201
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.028 0.2201
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0269 0.0558
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0745 0.0738
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0269 0.209
Brugia malayi TAR-binding protein 0.0072 0.0745 0.2394
Brugia malayi Pre-SET motif family protein 0.0237 0.2867 0.9349
Brugia malayi MH2 domain containing protein 0.0252 0.3066 1
Onchocerca volvulus 0.027 0.3289 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0048 0.0041
Echinococcus multilocularis lamin dm0 0.0031 0.0212 0.0205
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.0262 0.8958
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.0262 0.0257
Mycobacterium tuberculosis Probable reductase 0.0228 0.2752 0.6843
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0238 0.0232
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0269 0.0256
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0262 0.0543
Schistosoma mansoni ap endonuclease 0.0023 0.0109 0.0095
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0745 0.243
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0254 0.0241
Echinococcus multilocularis lamin 0.0031 0.0212 0.0205
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0109 0.0576
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0254 0.0247
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0262 0.2031
Mycobacterium ulcerans lipase LipD 0.0035 0.0269 0.0411
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0269 0.0558
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0144 0.0424
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0487 0.1548
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0487 0.1588
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0745 0.243
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0228 0.2752 0.6843
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0048 0.0041
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0228 0.2752 0.6843
Loa Loa (eye worm) hypothetical protein 0.0015 0.0007 0.0024
Schistosoma mansoni ap endonuclease 0.0023 0.0109 0.0095
Schistosoma mansoni microtubule-associated protein tau 0.0786 0.9932 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0269 0.0558
Brugia malayi MH1 domain containing protein 0.0017 0.0038 0.0076
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.028 1
Trichomonas vaginalis esterase, putative 0.0035 0.0269 0.0503
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0048 0.0157
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.0262 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0232 0.0465
Schistosoma mansoni inositol monophosphatase 0.0036 0.028 0.0268
Leishmania major trypanothione reductase 0.01 0.1103 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0503
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0048 0.0034
Echinococcus granulosus lamin 0.0031 0.0212 0.0206
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Plasmodium falciparum thioredoxin reductase 0.0035 0.0262 0.0543
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0038 0.0031
Schistosoma mansoni inositol monophosphatase 0.0036 0.028 0.0268
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0048 0.011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0443 0.1403
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0503
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0443 0.1403
Brugia malayi MH2 domain containing protein 0.0017 0.0038 0.0076
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0262 0.2031
Loa Loa (eye worm) RNA binding protein 0.0072 0.0745 0.243
Echinococcus multilocularis musashi 0.0031 0.0212 0.0205
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0262 0.2031
Loa Loa (eye worm) hypothetical protein 0.0173 0.2044 0.6667
Giardia lamblia NADH oxidase lateral transfer candidate 0.0035 0.0262 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0745 0.0737
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0503
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0015 0.0007
Leishmania major hypothetical protein, conserved 0.0035 0.0269 0.209
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0269 0.0256
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0269 0.0558
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.028 0.0539
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0038 0.0023
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0109 0.0576
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.0262 0.8958
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Loa Loa (eye worm) hypothetical protein 0.0033 0.0244 0.0797
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.028 0.2201
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0269 0.0833
Onchocerca volvulus 0.0035 0.0269 0.0185
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.0262 0.025
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0048 0.0041
Brugia malayi intermediate filament protein 0.0031 0.0212 0.0646
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0745 0.2394
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0212 0.0691
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.028 0.0441
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0109 0.0309
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0109 0.0154
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0262 0.2031
Trichomonas vaginalis mercuric reductase, putative 0.0035 0.0262 0.0483
Echinococcus granulosus thioredoxin glutathione reductase 0.01 0.1103 0.1104
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0558
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0269 0.0411
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0254 0.308 0.7672
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0254 0.1952
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0262 0.2031
Brugia malayi MH1 domain containing protein 0.0017 0.0038 0.0076
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0015 0.0007
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0876
Trichomonas vaginalis set domain proteins, putative 0.027 0.3289 1
Onchocerca volvulus 0.0034 0.0254 0.0137
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0876
Brugia malayi beta-lactamase family protein 0.0035 0.0269 0.0833
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.0262 0.2031
Loa Loa (eye worm) thioredoxin reductase 0.01 0.1103 0.3599
Plasmodium falciparum glutathione reductase 0.0035 0.0262 0.0543
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0035 0.0262 0.0395
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0254 0.0249
Loa Loa (eye worm) beta-lactamase 0.0035 0.0269 0.0876
Echinococcus granulosus tar DNA binding protein 0.0072 0.0745 0.0743
Schistosoma mansoni intermediate filament proteins 0.0031 0.0212 0.0199
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0254 0.0241
Loa Loa (eye worm) hypothetical protein 0.0034 0.0254 0.0829
Echinococcus granulosus Smad4 0.0017 0.0038 0.0031
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.0262 0.0255
Mycobacterium tuberculosis Probable dehydrogenase 0.0228 0.2752 0.6843
Mycobacterium tuberculosis Probable oxidoreductase 0.0254 0.308 0.7672
Onchocerca volvulus 0.0035 0.0269 0.0185
Trypanosoma cruzi trypanothione reductase, putative 0.01 0.1103 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0269 0.0503
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0028 0.0092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0487 0.0476
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0254 0.308 0.7672
Schistosoma mansoni lamin 0.0031 0.0212 0.0199
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0269 0.0558
Loa Loa (eye worm) hypothetical protein 0.0031 0.0212 0.0691
Echinococcus granulosus GPCR family 2 0.0015 0.0015 0.0007
Treponema pallidum hypothetical protein 0.0325 0.3999 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0487 0.048
Echinococcus multilocularis microtubule associated protein 2 0.0786 0.9932 0.9932
Schistosoma mansoni smad1 5 8 and 0.0017 0.0038 0.0023
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0325 0.3999 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.0262 0.2031
Loa Loa (eye worm) MH2 domain-containing protein 0.0252 0.3066 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0269 0.0558
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0038 0.0031
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0325 0.3999 1
Schistosoma mansoni Smad4 0.0017 0.0038 0.0023
Brugia malayi beta-lactamase family protein 0.0035 0.0269 0.0833
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0048 0.0041
Loa Loa (eye worm) inositol-1 0.0036 0.028 0.0914
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0325 0.3999 1
Brugia malayi Thioredoxin reductase 0.01 0.1103 0.3569
Plasmodium falciparum glutathione reductase 0.01 0.1103 0.2671
Plasmodium falciparum thioredoxin reductase 0.01 0.1103 0.2671
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0228 0.2752 0.6843
Brugia malayi glutathione reductase 0.01 0.1103 0.3569
Echinococcus granulosus microtubule associated protein 2 0.0786 0.9932 1
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.1983 0.5894
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.0262 0.2031
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.028 0.0275
Brugia malayi Smad1 0.0017 0.0038 0.0076
Treponema pallidum NADH oxidase 0.0035 0.0262 0.0395
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Echinococcus multilocularis Smad4 0.0017 0.0038 0.0031
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0269 0.0558
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2705 0.6725
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0015 0.0007
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0048 0.0041
Brugia malayi MH2 domain containing protein 0.0017 0.0038 0.0076
Schistosoma mansoni hypothetical protein 0.0033 0.0244 0.0232
Echinococcus granulosus lamin dm0 0.0031 0.0212 0.0206
Schistosoma mansoni smad1 5 8 and 0.0017 0.0038 0.0023
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0109 0.0154
Mycobacterium ulcerans beta-lactamase 0.0035 0.0269 0.0411
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0035 0.0262 0.0395
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0047
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Schistosoma mansoni smad 0.0017 0.0038 0.0023
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0325 0.3999 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0038 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0745 0.0737
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0487 0.0476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0487 0.0483
Trichomonas vaginalis glutathione reductase, putative 0.0035 0.0262 0.0483
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.2867 0.9353
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0262 0.2031
Toxoplasma gondii exonuclease III APE 0.0023 0.0109 0.0576
Trypanosoma brucei trypanothione reductase 0.01 0.1103 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0558
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0487 0.0476
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0228 0.2752 0.6843
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.0262 0.0812
Echinococcus multilocularis thioredoxin glutathione reductase 0.01 0.1103 0.1097
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0109 0.0102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0487 0.048
Toxoplasma gondii thioredoxin reductase 0.01 0.1103 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0745 0.0737
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0269 0.209
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0173 0.2044 0.6651
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0109 0.0154
Plasmodium vivax SET domain protein, putative 0.0034 0.0254 0.0521
Onchocerca volvulus 0.0035 0.0269 0.0185
Schistosoma mansoni smad1 5 8 and 0.0017 0.0038 0.0023
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0109 0.0102
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0028 0.0045
Plasmodium vivax glutathione reductase, putative 0.01 0.1103 0.2671
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0558
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.0262 0.2031
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0244 0.0753
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0254 0.308 0.7559
Brugia malayi beta-lactamase 0.0035 0.0269 0.0833
Loa Loa (eye worm) glutathione reductase 0.01 0.1103 0.3599
Mycobacterium ulcerans hypothetical protein 0.0035 0.0269 0.0411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0262 0.2031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0254 0.0241
Loa Loa (eye worm) Smad1 0.0017 0.0038 0.0123
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0269 0.0876
Loa Loa (eye worm) hypothetical protein 0.0049 0.0443 0.1443
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.01 0.1103 0.2671
Echinococcus multilocularis GPCR, family 2 0.0015 0.0015 0.0007
Mycobacterium leprae Probable lipase LipE 0.0035 0.0269 0.0098
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0269 0.0503
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.028 0.0539
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0269 0.0262
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0109 0.0576
Brugia malayi Pre-SET motif family protein 0.0034 0.0254 0.0785
Brugia malayi RNA binding protein 0.0072 0.0745 0.2394
Brugia malayi isocitrate dehydrogenase 0.0018 0.0048 0.011
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0325 0.3999 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0144 0.0424
Schistosoma mansoni lamin 0.0031 0.0212 0.0199
Loa Loa (eye worm) transcription factor SMAD2 0.0252 0.3066 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0038 0.0031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0443 0.1443
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0745 0.0737
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0269 0.0558
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0015 0.0047
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0035 0.0262 0.0543
Plasmodium vivax thioredoxin reductase, putative 0.01 0.1103 0.2671
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0038 0.0123
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.028 0.0273
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0876
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0048 0.0041
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0876
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0269 0.0263
Echinococcus granulosus intermediate filament protein 0.0031 0.0212 0.0206
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0228 0.2752 0.6689
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.028 0.0539
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0745 0.0737
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0109 0.0576
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.028 0.2201
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0262 0.0543
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0262 0.2031
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0254 0.0247
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0015 0.0007
Echinococcus multilocularis smad 0.0017 0.0038 0.0031
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0212 0.0646
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0262 0.0543
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0269 0.0098
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.028 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0269 0.0411
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0212 0.0691
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0035 0.0262 0.0395
Brugia malayi Inositol-1 0.0036 0.028 0.0871
Echinococcus granulosus smad 0.0017 0.0038 0.0031
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.028 0.2201

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.6891 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 100 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
Homo sapiens ChEMBL23
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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