Detailed information for compound 1395309

Basic information

Technical information
  • TDR Targets ID: 1395309
  • Name: 2-[(5Z)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2- sulfanylidene-1,3-thiazolidin-3-yl]pentanedio ic acid
  • MW: 392.406 | Formula: C16H12N2O6S2
  • H donors: 3 H acceptors: 6 LogP: 1.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCC(N1C(=S)S/C(=C/2\C(=O)Nc3c2cccc3)/C1=O)C(=O)O
  • InChi: 1S/C16H12N2O6S2/c19-10(20)6-5-9(15(23)24)18-14(22)12(26-16(18)25)11-7-3-1-2-4-8(7)17-13(11)21/h1-4,9H,5-6H2,(H,17,21)(H,19,20)(H,23,24)/b12-11-
  • InChiKey: DYACMNAJQCQSSV-QXMHVHEDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
  • 2-[(5Z)-4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]pentanedioic acid
  • 2-[4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]pentanedioic acid
  • 2-[4-oxo-5-(2-oxo-3-indolinylidene)-2-thioxo-3-thiazolidinyl]pentanedioic acid
  • 2-[(5Z)-4-oxo-5-(2-oxo-3-indolinylidene)-2-thioxo-3-thiazolidinyl]pentanedioic acid
  • 2-[4-keto-5-(2-ketoindolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]glutaric acid
  • 2-[(5Z)-4-keto-5-(2-ketoindolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]glutaric acid
  • CBMicro_048045
  • ST5148435
  • BIM-0047996.P001
  • Oprea1_504334
  • MLS000105065
  • SMR000054994

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax 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
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni rab6-interacting 0.0024 0.2499 0.2499
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.2423 0.4301
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0506 0.0541
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7985 0.8537
Giardia lamblia DINP protein human, muc B family 0.0023 0.2423 1
Loa Loa (eye worm) hypothetical protein 0.006 0.7985 0.9231
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Brugia malayi hypothetical protein 0.002 0.1872 0.2001
Schistosoma mansoni hypothetical protein 0.0019 0.1781 0.1781
Schistosoma mansoni lipoxygenase 0.0024 0.2499 0.2499
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4138 0.4784
Schistosoma mansoni hypothetical protein 0.0014 0.0968 0.0968
Echinococcus multilocularis GPCR, family 2 0.0019 0.1781 0.172
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.3499 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.9354 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.2499 0.2889
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.9354 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.5634 1
Loa Loa (eye worm) hypothetical protein 0.003 0.3499 0.4044
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.896 0.957
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.2499 0.7143
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.2499 0.2505
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.2499 0.2505
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.4929 0.3698
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1781 0.172
Leishmania major DNA polymerase eta, putative 0.0023 0.2423 0.259
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.8651 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2333 0.4142
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2333 0.667
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.5634 0.6391
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2333 0.667
Schistosoma mansoni cpg binding protein 0.0035 0.4138 0.4138
Leishmania major hypothetical protein, conserved 0.003 0.3499 0.374
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1781 0.1904
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.5634 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.5634 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0527 0.0609
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1781 0.172
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.3499 0.3969
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.5634 1
Toxoplasma gondii exonuclease III APE 0.0023 0.2333 0.2647
Loa Loa (eye worm) hypothetical protein 0.0019 0.1781 0.2059
Echinococcus granulosus GPCR family 2 0.0019 0.1781 0.172
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.9354 0.9354
Trypanosoma brucei unspecified product 0.0023 0.2423 0.4301
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.2423 0.4204
Onchocerca volvulus 0.0035 0.4138 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.9354 1
Schistosoma mansoni lipoxygenase 0.0067 0.896 0.896
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.2499 0.7143
Schistosoma mansoni cpg binding protein 0.0037 0.4436 0.4436
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2423 0.2801
Brugia malayi CXXC zinc finger family protein 0.0035 0.4138 0.4424
Schistosoma mansoni hypothetical protein 0.0024 0.2499 0.2499
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.2333 0.2495
Schistosoma mansoni rab6-interacting 0.0024 0.2499 0.2499
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3499 0.621
Brugia malayi hypothetical protein 0.003 0.3499 0.374
Leishmania major DNA polymerase kappa, putative 0.0023 0.2423 0.259
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1781 0.2059
Loa Loa (eye worm) hypothetical protein 0.0041 0.5114 0.5911
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Brugia malayi hypothetical protein 0.0024 0.2499 0.2672
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2423 0.259
Echinococcus granulosus cpg binding protein 0.0037 0.4436 0.4623
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.2423 0.4204
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Echinococcus multilocularis RUN 0.0024 0.2499 0.2505
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0968 0.083
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.2423 0.2422
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2423 0.0128
Brugia malayi hypothetical protein 0.0024 0.2499 0.2672
Schistosoma mansoni hypothetical protein 0.0019 0.1781 0.1781
Schistosoma mansoni DNA polymerase eta 0.0023 0.2423 0.2423
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2423 0.4301
Echinococcus granulosus dna polymerase kappa 0.0023 0.2423 0.2422
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.5634 0.5933
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1781 0.172
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1333 0.2365
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0527 0.0349
Echinococcus multilocularis dna polymerase kappa 0.0023 0.2423 0.2422
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2423 0.4301
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.2333 0.2495
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3499 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3499 0.621
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.2423 0.0271
Schistosoma mansoni loxhd1 0.0024 0.2499 0.2499
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.9354 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7985 0.8537
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1781 0.172
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.896 0.957
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.5634 1
Brugia malayi Doublecortin family protein 0.0024 0.2499 0.2672
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Trypanosoma brucei unspecified product 0.0016 0.1333 0.2365
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.5634 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.5634 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1333 0.2365
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2423 0.259
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.9354 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.2499 0.2505
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0208 0.0208
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.2499 0.2505
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1781 0.1904
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.3499 0.621
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2423 0.4301
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2333 0.4142
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0527 0.0349
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7985 0.9231
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0968 0.083
Echinococcus multilocularis cpg binding protein 0.0037 0.4436 0.4623
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2333 0.2324
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.2423 0.2422
Schistosoma mansoni hypothetical protein 0.0019 0.1781 0.1781
Echinococcus granulosus dna polymerase eta 0.0023 0.2423 0.2422
Loa Loa (eye worm) inositol-1 0.0045 0.5634 0.6513
Loa Loa (eye worm) hypothetical protein 0.0023 0.2423 0.2801
Loa Loa (eye worm) doublecortin family protein 0.0024 0.2499 0.2889
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2333 0.2495
Schistosoma mansoni polycystin 1-related 0.0024 0.2499 0.2499
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2423 0.259
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Schistosoma mansoni inositol monophosphatase 0.0045 0.5634 0.5634
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8815 1
Schistosoma mansoni ap endonuclease 0.0023 0.2333 0.2333
Schistosoma mansoni cpg binding protein 0.0037 0.4436 0.4436
Trypanosoma brucei unspecified product 0.0016 0.1333 0.2365
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5114 0.5467
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.5634 0.5933
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.9354 1
Echinococcus granulosus RUN 0.0024 0.2499 0.2505
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.2499 0.2505
Loa Loa (eye worm) hypothetical protein 0.0024 0.2499 0.2889
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2333 0.4142
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2333 0.4042
Schistosoma mansoni hypothetical protein 0.0019 0.1781 0.1781
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2423 0.259
Echinococcus multilocularis dna polymerase eta 0.0023 0.2423 0.2422
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.5634 0.6023
Schistosoma mansoni ap endonuclease 0.0023 0.2333 0.2333
Brugia malayi Inositol-1 0.0045 0.5634 0.6023
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2423 0.0128
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2333 0.2697
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.2499 0.2505
Schistosoma mansoni hypothetical protein 0.0041 0.5114 0.5114
Schistosoma mansoni inositol monophosphatase 0.0045 0.5634 0.5634
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2423 0.259
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.9354 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.2423 0.4301
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2333 0.963
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.2423 0.2423
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2333 0.4042
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3499 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2333 0.2324
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.5634 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.4929 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.5634 0.6023
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1333 0.2365
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2333 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2423 0.4301
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.2423 0.2423

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.
 
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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