Detailed information for compound 1452575

Basic information

Technical information
  • TDR Targets ID: 1452575
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-propyl -1H-isoindole-4-carboxamide
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1Cc2c(C1=O)c(ccc2)C(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C20H20N2O4/c1-2-8-22-11-14-4-3-5-15(18(14)20(22)24)19(23)21-10-13-6-7-16-17(9-13)26-12-25-16/h3-7,9H,2,8,10-12H2,1H3,(H,21,23)
  • InChiKey: MYAPBPMHUFNXOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-propyl-isoindoline-4-carboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-propyl-4-isoindolinecarboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-3-keto-2-propyl-isoindoline-4-carboxamide
  • MLS000045280
  • N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-propylisoindoline-4-carboxamide
  • SMR000026872

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH1 domain containing protein 0.0034 0.0532 0.0479
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1093 0.8069
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1333 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0661 0.0606
Echinococcus multilocularis cpg binding protein 0.0037 0.0587 0.1068
Brugia malayi MH2 domain containing protein 0.0034 0.0532 0.0479
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1333 0.2464
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1093 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1333 0.5
Schistosoma mansoni tar DNA-binding protein 0.0271 0.5364 1
Schistosoma mansoni tar DNA-binding protein 0.0271 0.5364 1
Schistosoma mansoni cpg binding protein 0.0035 0.0546 0.0993
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1093 0.2015
Loa Loa (eye worm) RNA binding protein 0.0271 0.5364 0.5336
Schistosoma mansoni smad1 5 8 and 0.0034 0.0532 0.0966
Schistosoma mansoni hypothetical protein 0.0085 0.1572 0.2911
Schistosoma mansoni Smad4 0.0015 0.0149 0.025
Brugia malayi mothers against decapentaplegic homolog 3 0.0015 0.0149 0.0094
Loa Loa (eye worm) hypothetical protein 0.0019 0.0223 0.0165
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0169 0.0635
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0169 0.0635
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0169 0.0287
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0532 0.0966
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0642 0.5505
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0377 1
Brugia malayi MH2 domain containing protein 0.0034 0.0532 0.0479
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1093 1
Schistosoma mansoni cpg binding protein 0.0037 0.0587 0.1068
Echinococcus granulosus Smad4 0.0034 0.0532 0.0966
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0058 0.0081
Brugia malayi Smad1 0.0034 0.0532 0.0479
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0085 0.1572 0.2911
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0169 0.0287
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1333 1
Loa Loa (eye worm) nuclear factor I 0.0019 0.0223 0.0165
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0642 0.4442
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1093 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1093 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0015 0.0149 0.025
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0532 0.0477
Schistosoma mansoni cpg binding protein 0.0037 0.0587 0.1068
Loa Loa (eye worm) TAR-binding protein 0.0271 0.5364 0.5336
Loa Loa (eye worm) hypothetical protein 0.0184 0.3583 0.3545
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1093 1
Brugia malayi MH2 domain containing protein 0.0015 0.0149 0.0094
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1093 1
Onchocerca volvulus 0.0035 0.0546 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0058 0.0081
Loa Loa (eye worm) MH2 domain-containing protein 0.0499 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1093 0.2015
Brugia malayi RNA binding protein 0.0271 0.5364 0.5338
Brugia malayi MH1 domain containing protein 0.0034 0.0532 0.0479
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0169 0.0787
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1093 0.8069
Loa Loa (eye worm) hypothetical protein 0.0015 0.0149 0.0091
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1333 0.2464
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0287
Brugia malayi CXXC zinc finger family protein 0.0035 0.0546 0.0493
Trichomonas vaginalis rotamase, putative 0.0039 0.0642 0.5874
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0269 0.5316 0.5288
Brugia malayi Latrophilin receptor protein 2 0.0085 0.1572 0.1525
Loa Loa (eye worm) hypothetical protein 0.0085 0.1572 0.1523
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1333 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0377 0.0321
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1093 0.2015
Echinococcus granulosus mothers against decapentaplegic 6 0.0015 0.0149 0.025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0287
Schistosoma mansoni tar DNA-binding protein 0.0271 0.5364 1
Schistosoma mansoni Smad4 0.0015 0.0149 0.025
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0642 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0377 0.2865
Brugia malayi latrophilin 2 splice variant baaae 0.0184 0.3583 0.3547
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0532 0.0966
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0271 0.5364 0.5336
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0661 0.6051
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1093 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1333 1
Schistosoma mansoni rotamase 0.004 0.0661 0.1208
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0532 0.0477
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0085 0.1572 0.2911
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0546 0.0491
Trichomonas vaginalis rotamase, putative 0.004 0.0661 0.6051
Schistosoma mansoni hypothetical protein 0.0085 0.1572 0.2911
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0377 0.2865
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.0149 0.0091
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0377 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0532 0.0966
Brugia malayi MAP kinase sur-1 0.0062 0.1093 0.1043
Echinococcus multilocularis expressed protein 0.004 0.0661 0.1208
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1093 0.2015
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0169 0.0635
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0169 0.0287
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0169 0.0787
Schistosoma mansoni hypothetical protein 0.0184 0.3583 0.6671
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0532 0.0966
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0377 0.2865
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1333 0.2464
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.0149 0.0091
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0085 0.1572 0.2911
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0287
Brugia malayi isocitrate dehydrogenase 0.0016 0.0169 0.0114
Echinococcus multilocularis Smad4 0.0034 0.0532 0.0966
Echinococcus granulosus smad 0.0034 0.0532 0.0966
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1178 0.8752
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0169 0.0787
Brugia malayi hypothetical protein 0.0026 0.0377 0.0323
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0269 0.5316 0.5289
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1338 0.2473
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0377 1
Loa Loa (eye worm) transcription factor SMAD2 0.0499 1 1
Leishmania major hypothetical protein, conserved 0.0026 0.0377 0.2312
Echinococcus granulosus expressed protein 0.004 0.0661 0.1208
Schistosoma mansoni hypothetical protein 0.0012 0.0081 0.0122
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0532 0.0966
Schistosoma mansoni tar DNA-binding protein 0.0271 0.5364 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0085 0.1572 0.1525
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0085 0.1572 0.2911
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0.009 0.5
Echinococcus granulosus GPCR family 2 0.0085 0.1572 0.2911
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0169 0.0114
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0661 0.0609
Echinococcus granulosus cpg binding protein 0.0037 0.0587 0.1068
Echinococcus multilocularis tar DNA binding protein 0.0271 0.5364 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1093 0.2015
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1093 0.5
Echinococcus multilocularis mothers against decapentaplegic 6 0.0015 0.0149 0.025
Echinococcus granulosus tar DNA binding protein 0.0271 0.5364 1
Schistosoma mansoni smad1 5 8 and 0.0034 0.0532 0.0966
Schistosoma mansoni smad1 5 8 and 0.0034 0.0532 0.0966
Loa Loa (eye worm) Smad1 0.0034 0.0532 0.0477
Echinococcus multilocularis GPCR, family 2 0.0085 0.1572 0.2911
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0081 0.0122
Echinococcus multilocularis mothers against decapentaplegic 2 0.0015 0.0149 0.025
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0642 0.5505
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0081 0.0122
Brugia malayi TAR-binding protein 0.0271 0.5364 0.5338
Schistosoma mansoni hypothetical protein 0.0085 0.1572 0.2911
Brugia malayi MH1 domain containing protein 0.0019 0.0223 0.0168
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1333 0.5
Schistosoma mansoni hypothetical protein 0.0085 0.1572 0.2911
Brugia malayi Calcitonin receptor-like protein seb-1 0.0269 0.5316 0.5289
Schistosoma mansoni tar DNA-binding protein 0.0271 0.5364 1
Echinococcus multilocularis smad 0.0034 0.0532 0.0966
Loa Loa (eye worm) latrophilin receptor protein 2 0.0085 0.1572 0.1523
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0377 0.2312
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0169 0.0111
Brugia malayi hypothetical protein 0.0017 0.0187 0.0132
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0169 0.0787
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1093 1
Brugia malayi MH1 domain containing protein 0.0019 0.0223 0.0168
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0642 0.4442
Trypanosoma brucei protein kinase, putative 0.0062 0.1093 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0642 0.5505
Loa Loa (eye worm) hypothetical protein 0.0269 0.5316 0.5288
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1333 0.2464
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1093 0.8069
Schistosoma mansoni smad 0.0015 0.0149 0.025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.0287
Brugia malayi RNA recognition motif domain containing protein 0.0271 0.5364 0.5338
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1093 0.1041
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1093 1
Schistosoma mansoni Smad4 0.0034 0.0532 0.0966
Schistosoma mansoni smad 0.0034 0.0532 0.0966

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 31.84 um PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3). (Class of assay: confirmatory) [Related pubchem assays: 746 ] ChEMBL. No reference
Potency (functional) = 0.1995 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) 1.122 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) 5.0119 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 15.8489 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) 19.0115 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] 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

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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