Detailed information for compound 1454711

Basic information

Technical information
  • TDR Targets ID: 1454711
  • Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-methy l-2-[(3-methylphenoxy)methyl]benzimidazol-3-i um-1-yl]acetate chloride
  • MW: 485.058 | Formula: C28H37ClN2O3
  • H donors: 0 H acceptors: 1 LogP: 7.74 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCC(C(C1)OC(=O)C[n+]1c(COc2cccc(c2)C)n(c2c1cccc2)C)C(C)C.[Cl-]
  • InChi: 1S/C28H37N2O3.ClH/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22;/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3;1H/q+1;/p-1
  • InChiKey: NYYQKESQKWKCFV-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2-isopropyl-5-methyl-cyclohexyl) 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate chloride
  • 2-[3-methyl-2-[(3-methylphenoxy)methyl]-1-benzimidazol-3-iumyl]acetic acid (2-isopropyl-5-methylcyclohexyl) ester chloride
  • 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride
  • (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate chloride
  • MLS000711089
  • ST003709
  • SMR000280856

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens neurotensin receptor 1 (high affinity) Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens X-box binding protein 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Mus musculus DNA-damage inducible transcript 3 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical 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 multilocularis cytoplasmic intermediate filament protein 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134980 All targets in OG5_134980
Echinococcus multilocularis X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni inositol monophosphatase 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 microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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 lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 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 307 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 306 aa 22.5 %
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 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ccaat enhancer binding protein delta 0.0011 0.0064 0.0064
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0728 0.0728
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.012
Echinococcus multilocularis Smad4 0.001 0.0049 0.0049
Echinococcus multilocularis protein dispatched 1 0.0183 0.2145 0.2145
Brugia malayi hypothetical protein 0.0011 0.0064 0.012
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0445 0.5308 0.5308
Onchocerca volvulus 0.0033 0.0324 0.9269
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0209 0.2453 0.6695
Brugia malayi hypothetical protein 0.0308 0.3652 0.688
Schistosoma mansoni smad1 5 8 and 0.001 0.0049 0.0049
Echinococcus multilocularis lamin 0.0033 0.0324 0.0324
Echinococcus multilocularis cpg binding protein 0.0037 0.0374 0.0374
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0725 0.9947
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.047 0.047
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.0011 0.0064 0.0064
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0049 0.0093
Echinococcus granulosus X box binding protein 1 0.0348 0.4135 0.4135
Echinococcus multilocularis protocadherin 11 0.0011 0.0064 0.0064
Echinococcus multilocularis X box binding protein 1 0.0348 0.4135 0.4135
Echinococcus granulosus lamin dm0 0.0033 0.0324 0.0324
Onchocerca volvulus 0.0011 0.0064 0.1825
Echinococcus granulosus Smad4 0.001 0.0049 0.0049
Echinococcus granulosus lamin 0.0033 0.0324 0.0324
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.006 0.006
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0324 0.0611
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0161 0.0161
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.012
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0121 0.0121
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0011 0.0064 0.0064
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0728 0.0728
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0161 0.0304
Echinococcus multilocularis neuropeptide s receptor 0.0561 0.6713 0.6713
Brugia malayi CXXC zinc finger family protein 0.0035 0.035 0.0659
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0035 0.0035
Schistosoma mansoni cpg binding protein 0.0037 0.0374 0.0374
Echinococcus granulosus Niemann Pick C1 protein 0.0183 0.2145 0.2145
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5899 0.5899
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0445 0.5308 1
Echinococcus granulosus smad 0.001 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0016 0.0121 0.0227
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0413 0.4448
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0728 0.0533
Echinococcus granulosus protocadherin 11 0.0011 0.0064 0.0064
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0035 0.0035
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0121 0.0121
Echinococcus multilocularis transcriptional factor nfil3:e4bp4 0.0011 0.0064 0.0064
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0728 0.0533
Echinococcus multilocularis lamin dm0 0.0033 0.0324 0.0324
Schistosoma mansoni hypothetical protein 0.0348 0.4135 0.4135
Brugia malayi MH2 domain containing protein 0.001 0.0049 0.0093
Echinococcus granulosus neuropeptide receptor A26 0.0561 0.6713 0.6713
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.012
Brugia malayi isocitrate dehydrogenase 0.0019 0.0161 0.0304
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.047 0.1224
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0728 0.0728
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0445 0.5308 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0161 0.0161
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0161 0.5
Echinococcus granulosus Protein patched homolog 1 0.0183 0.2145 0.2145
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0049 0.0049
Schistosoma mansoni par domain protein 0.0011 0.0064 0.0064
Brugia malayi Inositol-1 0.0045 0.047 0.0885
Echinococcus granulosus transcriptional factor nfil3:e4bp4 0.0011 0.0064 0.0064
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.006 0.006
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0728 0.0728
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0183 0.2145 0.404
Brugia malayi MH1 domain containing protein 0.001 0.0049 0.0093
Echinococcus granulosus geminin 0.0205 0.2403 0.2403
Echinococcus granulosus intermediate filament protein 0.0033 0.0324 0.0324
Brugia malayi hypothetical protein 0.0011 0.0064 0.012
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0035 0.0035
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0011 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0011 0.0064 0.0064
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0445 0.5308 1
Brugia malayi Smad1 0.001 0.0049 0.0093
Brugia malayi Cell death specification protein 2 0.0011 0.0064 0.012
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0728 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.047 0.0599
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0049 0.0049
Onchocerca volvulus 0.0033 0.0324 0.9269
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.047 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0161 0.0161
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.047 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0317 0.0597
Leishmania major hypothetical protein, conserved 0.0062 0.0682 0.1012
Onchocerca volvulus 0.0035 0.035 1
Schistosoma mansoni hypothetical protein 0.0205 0.2403 0.2403
Brugia malayi Hepatic leukemia factor 0.0011 0.0064 0.012
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0141 0.0266
Schistosoma mansoni smad 0.001 0.0049 0.0049
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0183 0.2145 0.2145
Trypanosoma cruzi UNC119 0.0062 0.0682 0.1012
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0445 0.5308 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0445 0.5308 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.047 0.047
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0049 0.0049
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0445 0.5308 0.5308
Brugia malayi intermediate filament protein 0.0033 0.0324 0.0611
Loa Loa (eye worm) inositol-1 0.0045 0.047 0.0885
Brugia malayi MH1 domain containing protein 0.001 0.0049 0.0093
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0728 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.012
Echinococcus multilocularis protocadherin 11 0.0011 0.0064 0.0064
Schistosoma mansoni smad1 5 8 and 0.001 0.0049 0.0049
Onchocerca volvulus 0.0011 0.0064 0.1825
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.012
Echinococcus multilocularis geminin 0.0205 0.2403 0.2403
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0161 0.0161
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0445 0.5308 0.5308
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0209 0.2453 0.6695
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.047 0.0599
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0161 0.0304
Echinococcus granulosus protocadherin 11 0.0011 0.0064 0.0064
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0209 0.2453 0.6695
Schistosoma mansoni cpg binding protein 0.0037 0.0374 0.0374
Brugia malayi CHE-14 protein 0.0183 0.2145 0.404
Loa Loa (eye worm) hypothetical protein 0.0015 0.0113 0.0214
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5899 0.5899
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.082 0.082
Trichomonas vaginalis retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase, putative 0.0308 0.3652 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0324 0.0611
Trypanosoma brucei UNC119 0.0062 0.0682 0.1012
Echinococcus granulosus neuropeptide s receptor 0.0561 0.6713 0.6713
Brugia malayi Cell death specification protein 2 0.0011 0.0064 0.012
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0413 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0059 0.011
Echinococcus multilocularis protein patched 0.0183 0.2145 0.2145
Schistosoma mansoni lamin 0.0033 0.0324 0.0324
Schistosoma mansoni cpg binding protein 0.0035 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.012
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0324 0.0611
Onchocerca volvulus 0.0011 0.0064 0.1825
Echinococcus multilocularis sterol regulatory element binding protein 0.0183 0.2145 0.2145
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0183 0.2145 0.404
Loa Loa (eye worm) bZIP transcription factor family protein 0.0011 0.0064 0.012
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0049 0.0049
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.035 0.0659
Echinococcus multilocularis ccaat enhancer binding protein delta ccaat enhancer binding protein beta 0.0011 0.0064 0.0064
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0161 0.0161
Echinococcus granulosus sterol regulatory element binding protein 0.0183 0.2145 0.2145
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1673 0.3151
Schistosoma mansoni inositol monophosphatase 0.0045 0.047 0.047
Schistosoma mansoni thyrotroph embryonic factor related 0.0011 0.0064 0.0064
Trypanosoma cruzi UNC119 0.0062 0.0682 0.1012
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.047 0.1224
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0161 0.5
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0209 0.2453 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0324 0.0611
Echinococcus granulosus cpg binding protein 0.0037 0.0374 0.0374
Echinococcus multilocularis smad 0.001 0.0049 0.0049
Schistosoma mansoni retinal rod rhodopsin-sensitive cgmp 3'5'-cyclic phosphodiesterase 0.0308 0.3652 0.3652
Schistosoma mansoni intermediate filament proteins 0.0033 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0062 0.0682 0.1285
Schistosoma mansoni lamin 0.0033 0.0324 0.0324
Brugia malayi MH2 domain containing protein 0.001 0.0049 0.0093
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0728 0.0533
Brugia malayi Cell death specification protein 2 0.0011 0.0064 0.012
Brugia malayi MH2 domain containing protein 0.0144 0.1673 0.3151
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0161 0.0161
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0035 0.0035
Onchocerca volvulus 0.0011 0.0064 0.1825
Loa Loa (eye worm) hypothetical protein 0.0445 0.5308 1
Brugia malayi bZIP transcription factor family protein 0.0011 0.0064 0.012
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.047 0.0599
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.047 0.5445
Echinococcus multilocularis neuropeptide receptor A26 0.0561 0.6713 0.6713
Schistosoma mansoni smad1 5 8 and 0.001 0.0049 0.0049
Brugia malayi hypothetical protein 0.0011 0.0064 0.012
Schistosoma mansoni transcriptional factor nfil3/e4bp4 0.0011 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0494 0.5899 0.5899
Schistosoma mansoni Smad4 0.001 0.0049 0.0049
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0049 0.0049
Loa Loa (eye worm) Smad1 0.001 0.0049 0.0093
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.047 0.0599
Echinococcus multilocularis Niemann Pick C1 protein 0.0183 0.2145 0.2145
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0141 0.0266
Loa Loa (eye worm) hypothetical protein 0.0308 0.3652 0.688
Loa Loa (eye worm) histone methyltransferase 0.0011 0.006 0.0114
Schistosoma mansoni hypothetical protein 0.0205 0.2403 0.2403
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.047 0.1224
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0011 0.0064 0.0064
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0445 0.5308 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0049 0.0093
Schistosoma mansoni patched 1 0.0183 0.2145 0.2145
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0011 0.0064 0.0064
Echinococcus multilocularis musashi 0.0033 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0015 0.0113 0.0214
Giardia lamblia Hypothetical protein 0.0062 0.0682 0.2586
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0728 0.11
Schistosoma mansoni hypothetical protein 0.0011 0.0064 0.0064
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1673 0.3151
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.2145 0.5843
Brugia malayi hypothetical protein 0.0062 0.0682 0.1285
Loa Loa (eye worm) cell death specification protein 2 0.0011 0.0064 0.012
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0035 0.0035

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 8.85 uM PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055] ChEMBL. No reference
IC50 (functional) = 10 uM PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
IC50 (functional) > 10 uM PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 2.3323 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) = 2.8184 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) 7.3078 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 18.3564 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 (binding) = 19.9526 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) 19.9526 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 29.081 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: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.