Detailed information for compound 1207663

Basic information

Technical information
  • TDR Targets ID: 1207663
  • Name: 2-(2,4-dichlorophenoxy)-1-[4-(3-phenylprop-2- enyl)piperazin-1-yl]ethanone
  • MW: 405.318 | Formula: C21H22Cl2N2O2
  • H donors: 0 H acceptors: 1 LogP: 4.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)OCC(=O)N1CCN(CC1)C/C=C/c1ccccc1
  • InChi: 1S/C21H22Cl2N2O2/c22-18-8-9-20(19(23)15-18)27-16-21(26)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b7-4+
  • InChiKey: KFIPIVJBBIZMNX-QPJJXVBHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
  • 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethanone
  • 2-(2,4-dichlorophenoxy)-1-[4-(3-phenylprop-2-enyl)-1-piperazinyl]ethanone
  • 5269-27-2
  • MLS000532760
  • 1-[(2,4-dichlorophenoxy)acetyl]-4-(3-phenyl-2-propen-1-yl)piperazine
  • IVK/9066729
  • SMR000140198
  • Oprea1_023236

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 263 aa 24.0 %
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 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.2815 0.2815
Echinococcus granulosus RUN 0.0024 0.0391 0.0391
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0124 0.0427
Brugia malayi intermediate filament protein 0.0033 0.057 0.1966
Echinococcus multilocularis geminin 0.0205 0.4087 0.4087
Brugia malayi CXXC zinc finger family protein 0.0035 0.0613 0.2115
Loa Loa (eye worm) hypothetical protein 0.0024 0.0391 0.1349
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0081 0.0081
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0816 0.5432
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0006 0.0026 0.0323
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Schistosoma mansoni polycystin 1-related 0.0024 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0078 0.1502 0.518
Brugia malayi Probable ClpP-like protease 0.0078 0.1502 0.518
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0029 0.0506 0.0506
Schistosoma mansoni blooms syndrome DNA helicase 0.0022 0.0362 0.0362
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Echinococcus granulosus intermediate filament protein 0.0033 0.057 0.057
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.29 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0019 0.0296 0.1854
Brugia malayi Doublecortin family protein 0.0024 0.0391 0.1349
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Schistosoma mansoni hypothetical protein 0.003 0.0512 0.0512
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0512 0.0512
Toxoplasma gondii isocitrate dehydrogenase 0.0029 0.0506 0.3369
Loa Loa (eye worm) hypothetical protein 0.0016 0.0226 0.0778
Brugia malayi Bloom's syndrome protein homolog 0.0028 0.0484 0.1669
Brugia malayi Inositol-1 0.0045 0.0816 0.2814
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0816 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.057 0.1966
Onchocerca volvulus 0.0033 0.057 0.9295
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Echinococcus granulosus bloom syndrome protein 0.0028 0.0484 0.0484
Trichomonas vaginalis DNA helicase recq, putative 0.0028 0.0484 0.5929
Schistosoma mansoni rab6-interacting 0.0024 0.0391 0.0391
Toxoplasma gondii isocitrate dehydrogenase 0.0029 0.0506 0.3369
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.1502 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1823 0.6288
Echinococcus granulosus geminin 0.0205 0.4087 0.4087
Loa Loa (eye worm) hypothetical protein 0.0024 0.0391 0.1349
Echinococcus multilocularis muscleblind protein 1 0.0147 0.29 0.29
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.1502 0.1502
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Brugia malayi latrophilin 2 splice variant baaae 0.0064 0.1216 0.4194
Trichomonas vaginalis DNA helicase recq1, putative 0.0028 0.0484 0.5929
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0029 0.0506 0.6202
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Schistosoma mansoni intermediate filament proteins 0.0033 0.057 0.057
Entamoeba histolytica recQ family helicase, putative 0.0006 0.0022 0.0266
Brugia malayi Latrophilin receptor protein 2 0.003 0.0512 0.1764
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0512 0.0512
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Echinococcus granulosus cpg binding protein 0.0037 0.0654 0.0654
Schistosoma mansoni rab6-interacting 0.0024 0.0391 0.0391
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0144 0.0144
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0214 0.2622
Echinococcus multilocularis cpg binding protein 0.0037 0.0654 0.0654
Schistosoma mansoni hypothetical protein 0.0205 0.4087 0.4087
Echinococcus multilocularis bloom syndrome protein 0.0028 0.0484 0.0484
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0214 0.2622
Schistosoma mansoni DNA helicase recq1 0.0012 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0064 0.1216 0.4194
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0261 0.09
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0144 0.0144
Schistosoma mansoni lipoxygenase 0.0142 0.2815 0.2815
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0144 0.0144
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0214 0.2622
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0029 0.0506 0.6202
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0214 0.2622
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0006 0.0006
Onchocerca volvulus 0.0035 0.0613 1
Echinococcus multilocularis lamin 0.0033 0.057 0.057
Schistosoma mansoni hypothetical protein 0.003 0.0512 0.0512
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0144 0.0495
Schistosoma mansoni DNA helicase recq5 0.0012 0.0144 0.0144
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.1502 0.1502
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0414 0.1986
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0455 0.2291
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0455 0.3028
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0721 0.7571
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0816 1
Schistosoma mansoni cpg binding protein 0.0035 0.0613 0.0613
Brugia malayi Isocitrate dehydrogenase 0.0029 0.0506 0.1745
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0015 0.0214 0.0736
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0029 0.0506 0.2668
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0391 0.0391
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 0.0797
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0029 0.0506 0.0506
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0029 0.0506 0.0506
Schistosoma mansoni loxhd1 0.0024 0.0391 0.0391
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.1502 0.1502
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0455 0.2904
Loa Loa (eye worm) hypothetical protein 0.0012 0.0144 0.0495
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1247 0.8303
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0094 0.1823 0.6288
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Echinococcus multilocularis isocitrate dehydrogenase 0.0029 0.0506 0.0506
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Schistosoma mansoni hypothetical protein 0.0494 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0029 0.0506 0.5318
Brugia malayi Calcitonin receptor-like protein seb-1 0.0094 0.1823 0.6288
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0029 0.0506 0.1745
Schistosoma mansoni inositol monophosphatase 0.0045 0.0816 0.0816
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0144 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0455 0.2926
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0029 0.0506 0.6202
Brugia malayi hypothetical protein 0.0024 0.0391 0.1349
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0029 0.0506 0.6202
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0006 0.0026 0.0323
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Loa Loa (eye worm) inositol-1 0.0045 0.0816 0.2814
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) hypothetical protein 0.0032 0.0558 0.1924
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 0.0797
Schistosoma mansoni inositol monophosphatase 0.0045 0.0816 0.0816
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0391 0.0391
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0292 0.1941
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0094 0.1823 0.6288
Loa Loa (eye worm) hypothetical protein 0.0147 0.29 1
Schistosoma mansoni lipoxygenase 0.01 0.194 0.194
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0226 0.0226
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0512 0.0512
Loa Loa (eye worm) intermediate filament protein 0.0033 0.057 0.1966
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0952 0.0952
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0391 0.0391
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0144 0.0495
Onchocerca volvulus 0.0024 0.0391 0.6377
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.2815 0.2815
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0144 0.0144
Schistosoma mansoni hypothetical protein 0.003 0.0512 0.0512
Brugia malayi hypothetical protein 0.0024 0.0391 0.1349
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0391 0.0391
Schistosoma mansoni blooms syndrome DNA helicase 0.0006 0.0026 0.0026
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0952 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0029 0.0506 0.0506
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0226 0.0226
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.1502 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.1502 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1408 0.1408
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0816 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0613 0.2115
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0144 0.0956
Echinococcus multilocularis musashi 0.0033 0.057 0.057
Echinococcus granulosus muscleblind protein 0.0147 0.29 0.29
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.1502 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0029 0.0506 0.6202
Echinococcus granulosus lamin dm0 0.0033 0.057 0.057
Brugia malayi isocitrate dehydrogenase 0.0029 0.0506 0.1745
Loa Loa (eye worm) hypothetical protein 0.0143 0.2821 0.9728
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Toxoplasma gondii hypothetical protein 0.0027 0.0455 0.3028
Schistosoma mansoni hypothetical protein 0.0024 0.0391 0.0391
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Brugia malayi Muscleblind-like protein 0.0147 0.29 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0952 1
Schistosoma mansoni hypothetical protein 0.0205 0.4087 0.4087
Onchocerca volvulus 0.0033 0.057 0.9295
Schistosoma mansoni hypothetical protein 0.003 0.0512 0.0512
Echinococcus multilocularis lamin dm0 0.0033 0.057 0.057
Echinococcus granulosus lamin 0.0033 0.057 0.057
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0952 0.6336
Loa Loa (eye worm) hypothetical protein 0.003 0.0512 0.1764
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0952 0.0952
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0721 0.4796
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0144 0.0956
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0391 0.1821
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0121 0.0417
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0512 0.0512
Echinococcus multilocularis muscleblind protein 0.0147 0.29 0.29
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0029 0.0506 0.3272
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0391 0.0391
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0391 0.0391
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0816 0.0816
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0029 0.0506 0.0506
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0261 0.09
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0816 1
Schistosoma mansoni lamin 0.0033 0.057 0.057
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0214 0.2622
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0144 0.0495
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0029 0.0506 0.0506
Trichomonas vaginalis helicase, putative 0.0008 0.0065 0.0797
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0512 0.1764
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0391 0.1349
Echinococcus multilocularis RUN 0.0024 0.0391 0.0391
Schistosoma mansoni lamin 0.0033 0.057 0.057
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0006 0.0026 0.0176
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0512 0.1764
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0391 0.2495
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.057 0.1966
Echinococcus granulosus GPCR family 2 0.003 0.0512 0.0512
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0816 0.0816
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0816 0.5432
Loa Loa (eye worm) hypothetical protein 0.0015 0.0214 0.0736
Loa Loa (eye worm) RecQ helicase 0.0028 0.0484 0.1669
Onchocerca volvulus 0.0024 0.0391 0.6377
Schistosoma mansoni hypothetical protein 0.0064 0.1216 0.1216
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.057 0.1966
Echinococcus multilocularis GPCR, family 2 0.003 0.0512 0.0512
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1502 1
Entamoeba histolytica recQ family DNA helicase 0.0006 0.0026 0.0323

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 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) = 12.5893 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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 (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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