Detailed information for compound 1271527

Basic information

Technical information
  • TDR Targets ID: 1271527
  • Name: 2-[3-(piperidine-1-carbothioyl)indol-1-yl]ace tic acid
  • MW: 302.391 | Formula: C16H18N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cn1cc(c2c1cccc2)C(=S)N1CCCCC1
  • InChi: 1S/C16H18N2O2S/c19-15(20)11-18-10-13(12-6-2-3-7-14(12)18)16(21)17-8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,19,20)
  • InChiKey: OWPVNMRKELWEJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(1-piperidyl-thioxomethyl)-1-indolyl]acetic acid
  • 2-(3-piperidin-1-ylcarbothioylindol-1-yl)ethanoic acid
  • IDI1_024242
  • STK111137
  • MLS000621645
  • SMR000299824
  • [3-(1-piperidinylcarbonothioyl)-1H-indol-1-yl]acetic acid
  • ChemDiv3_006332

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0037 0.0619 0.0619
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0745 0.0697
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0051 0.0051
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.0051
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1658 0.1658
Giardia lamblia Kinase, PLK 0.0114 0.2986 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.2986 0.2986
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.007 0.007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1658 0.1658
Brugia malayi Melibiase family protein 0.0071 0.1658 0.1658
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0341 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1152 0.1152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1171 0.1171
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.0051
Toxoplasma gondii fructose-bisphospatase II 0.0341 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0745 0.0697
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0051 0.0051
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1729 1
Leishmania major 0.0341 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0341 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1658 0.1658
Brugia malayi Augmenter of liver regeneration 0.0041 0.0745 0.0745
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1171 0.1171
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0051 0.0051
Brugia malayi jmjC domain containing protein 0.0071 0.1658 0.1658
Schistosoma mansoni hypothetical protein 0.0205 0.578 0.578
Toxoplasma gondii exonuclease III APE 0.002 0.007 0.0019
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0579 0.0531
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2986 0.295
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.2986 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.2986 0.295
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0745 0.0697
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0127 0.3384 0.335
Schistosoma mansoni kinase 0.0058 0.1255 0.1255
Brugia malayi Pre-SET motif family protein 0.0251 0.7221 0.7221
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1729 0.1729
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0051 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0019 0.0051 0.0051
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0341 1 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0051 0.0051
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Brugia malayi MH2 domain containing protein 0.0124 0.3297 0.3297
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0745 0.0697
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.0051
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.007 0.0019
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.007 0.0019
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0051 0.0051
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0579 0.0579
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1209 0.1385
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0051 0.0051
Onchocerca volvulus 0.0286 0.8292 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0579 0.0579
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1729 1
Toxoplasma gondii melibiase subfamily protein 0.0107 0.2753 0.2716
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0745 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0127 0.3384 0.335
Echinococcus granulosus phd:f box containing protein 0.0019 0.0051 0.0051
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0341 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0745 0.0697
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0051 0.0051
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.007 0.0274
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0341 1 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0107 0.2753 0.2753
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Loa Loa (eye worm) hypothetical protein 0.0019 0.0051 0.0051
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2753 0.2753
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1729 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1152 0.1152
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0107 0.2753 0.2753
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0579 0.0579
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1658 0.1658
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1658 0.1658
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0341 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0579 0.0579
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.2986 0.2986
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1171 0.1171
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2753 0.2753
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1209 0.1385
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1658 0.1658
Brugia malayi Pre-SET motif family protein 0.0036 0.0579 0.0579
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0127 0.3384 0.335
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.007 0.007
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0051 0.0051
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.2986 0.2986
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1729 1
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.0051
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1729 0.1687
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0071 0.1658 0.1931
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1729 0.1729
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0579 0.0579
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1152 0.1152
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.3297 0.3297
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.007 0.0019
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0019 0.0051 0.0051
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.007 0.0274
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0538 0.0538
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0051 0.0051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0579 0.0579
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1658 0.1658
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2986 0.295
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1658 0.1658
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.2986 0.295
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.007 0.0019
Toxoplasma gondii fructose-bisphospatase I 0.0127 0.3384 0.335
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0745 0.0745
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8292 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1171 0.1171
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.007 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.1658 0.1658
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1729 0.1729
Schistosoma mansoni hypothetical protein 0.0205 0.578 0.578
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0051 0.0051
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0341 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.007 0.007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1152 0.1152
Loa Loa (eye worm) hypothetical protein 0.0036 0.0579 0.0579
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0037 0.0619 0.0619
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0745 0.0745
Schistosoma mansoni ap endonuclease 0.002 0.007 0.007
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0051 0.0051
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7221 0.7221
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0745 0.0745
Plasmodium vivax SET domain protein, putative 0.0036 0.0579 0.7609
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1729 0.1729
Brugia malayi Cytochrome P450 family protein 0.005 0.1003 0.1003
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.2986 0.2986
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0051 0.0051
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1171 0.1171
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0579 0.0579
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0619 0.0619
Leishmania major hypothetical protein, conserved 0.0041 0.0745 0.0697
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0051 0.0051
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2753 0.2753
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2986 0.3547
Echinococcus multilocularis geminin 0.0205 0.578 0.578
Loa Loa (eye worm) hypothetical protein 0.0071 0.1658 0.1658
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.2986 0.3121
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.1658 0.1658
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0127 0.3384 0.335
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0107 0.2753 0.2753
Schistosoma mansoni ap endonuclease 0.002 0.007 0.007
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1729 0.1687
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0051 0.0051
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.007 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.3297 0.3297
Brugia malayi jmjC domain containing protein 0.0071 0.1658 0.1658
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.1003 0.1003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1171 0.1171
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.2986 0.2986
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0745 0.0697
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0051 0.0051
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.007 0.007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1171 0.1171
Echinococcus granulosus geminin 0.0205 0.578 0.578
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0745 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1171 0.1171

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.407 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 0.5805 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) 0.7943 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) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) = 10 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 15.003 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 31.5479 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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