Detailed information for compound 1336602

Basic information

Technical information
  • TDR Targets ID: 1336602
  • Name: 1-(5,5-diphenylpent-2-ynyl)pyrrolidine hydroc hloride
  • MW: 325.875 | Formula: C21H24ClN
  • H donors: 0 H acceptors: 0 LogP: 5.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(C1)CC#CCC(c1ccccc1)c1ccccc1.Cl
  • InChi: 1S/C21H23N.ClH/c1-3-11-19(12-4-1)21(20-13-5-2-6-14-20)15-7-8-16-22-17-9-10-18-22;/h1-6,11-14,21H,9-10,15-18H2;1H
  • InChiKey: UNOOMCMUDIRMMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000692969
  • SMR000285830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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 multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) inositol-1 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, 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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans C terminus of cytosolic NADP-specific 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
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii isocitrate dehydrogenase 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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
Trypanosoma congolense isocitrate dehydrogenase, putative 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
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
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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 mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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 granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein 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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
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 306 aa 22.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear factor I 0.0005 0.0013 0.0052
Schistosoma mansoni hypothetical protein 0.0125 0.2142 0.2465
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0091 0.0105
Loa Loa (eye worm) hypothetical protein 0.0058 0.0948 0.3675
Brugia malayi bZIP transcription factor family protein 0.0154 0.2655 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0709 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0256 0.0256
Echinococcus granulosus Smad4 0.001 0.0091 0.0091
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0797
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0255 0.0255
Onchocerca volvulus 0.0121 0.2067 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0091 0.0091
Brugia malayi MH2 domain containing protein 0.001 0.0091 0.0344
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0256 0.236
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0709 1
Giardia lamblia Hypothetical protein 0.0005 0 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0005 0.0006
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0986 0.3823
Brugia malayi MH1 domain containing protein 0.0005 0.0013 0.0051
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2478 0.9605
Echinococcus multilocularis smad 0.001 0.0091 0.0091
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0091 0.0091
Brugia malayi isocitrate dehydrogenase 0.0019 0.0256 0.0964
Echinococcus multilocularis jun protein 0.0154 0.2655 0.2655
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Schistosoma mansoni smad1 5 8 and 0.001 0.0091 0.0105
Schistosoma mansoni hypothetical protein 0.0205 0.3552 0.4087
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.869 0.869
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0709 0.0709
Echinococcus granulosus dnaJ subfamily B 0.0494 0.869 0.869
Schistosoma mansoni hypothetical protein 0.0494 0.869 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0986 0.3715
Echinococcus granulosus netrin receptor unc 5 0.0058 0.0948 0.0948
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0256 0.0256
Schistosoma mansoni netrin receptor unc5 0.0058 0.0948 0.1091
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0709 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0057 0.0797
Echinococcus granulosus Ankyrin 0.0058 0.0952 0.0952
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0256 0.0256
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0256 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0709 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0952 0.3691
Echinococcus multilocularis geminin 0.0205 0.3552 0.3552
Brugia malayi Immunoglobulin I-set domain containing protein 0.0058 0.0948 0.3571
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0256 0.0256
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0255 0.0255
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0533 0.2066
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0058 0.0948 0.0948
Schistosoma mansoni hypothetical protein 0.0058 0.0948 0.1091
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0091 0.0355
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0256 0.0992
Schistosoma mansoni smad1 5 8 and 0.001 0.0091 0.0105
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0058 0.0948 0.0948
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0255 0.0962
Brugia malayi MH1 domain containing protein 0.001 0.0091 0.0344
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0091 0.0091
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0256 0.0256
Echinococcus multilocularis cpg binding protein 0.0037 0.0568 0.0568
Brugia malayi Smad1 0.001 0.0091 0.0344
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Schistosoma mansoni hypothetical protein 0.0041 0.0648 0.0746
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0709 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0709 1
Echinococcus multilocularis Smad4 0.001 0.0091 0.0091
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0648 0.2441
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.007 0.007
Schistosoma mansoni smad 0.001 0.0091 0.0105
Schistosoma mansoni smad1 5 8 and 0.001 0.0091 0.0105
Echinococcus granulosus geminin 0.0205 0.3552 0.3552
Echinococcus multilocularis netrin receptor unc 5 0.0058 0.0948 0.0948
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0626 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1224 0.1408
Brugia malayi Death domain containing protein 0.0058 0.0948 0.3571
Brugia malayi hypothetical protein 0.0121 0.2067 0.7785
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0709 0.0709
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0568 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0626 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0709 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1084 1
Onchocerca volvulus Netrin receptor homolog 0.0058 0.0948 0.4587
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0797
Schistosoma mansoni jun-related protein 0.0125 0.2142 0.2465
Loa Loa (eye worm) hypothetical protein 0.0041 0.0648 0.2512
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0256 0.0294
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0255 0.099
Schistosoma mansoni hypothetical protein 0.0019 0.0255 0.0294
Chlamydia trachomatis 3'(2'),5'-bisphosphate nucleotidase CysQ 0.0005 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0797
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.007 0.0081
Onchocerca volvulus 0.0035 0.0533 0.2579
Echinococcus multilocularis Ankyrin 0.0058 0.0952 0.0952
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0709 1
Echinococcus granulosus cpg binding protein 0.0037 0.0568 0.0568
Loa Loa (eye worm) inositol-1 0.0045 0.0709 0.2749
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0058 0.0948 0.3675
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Echinococcus multilocularis GPCR, family 2 0.0019 0.0255 0.0255
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.007 0.007
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0256 0.3608
Brugia malayi Inositol-1 0.0045 0.0709 0.2672
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2478 0.9605
Schistosoma mansoni hypothetical protein 0.0019 0.0255 0.0294
Schistosoma mansoni hypothetical protein 0.0019 0.0255 0.0294
Schistosoma mansoni hypothetical protein 0.0205 0.3552 0.4087
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0256 0.3608
Brugia malayi Protein kinase domain containing protein 0.0058 0.0948 0.3571
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0105 0.0396
Schistosoma mansoni inositol monophosphatase 0.0045 0.0709 0.0816
Loa Loa (eye worm) Smad1 0.001 0.0091 0.0355
Brugia malayi MH2 domain containing protein 0.0144 0.2478 0.9334
Schistosoma mansoni cpg binding protein 0.0037 0.0568 0.0654
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0709 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0057 0.0797
Brugia malayi CXXC zinc finger family protein 0.0035 0.0533 0.2008
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.007 0.007
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0256 0.3608
Schistosoma mansoni cpg binding protein 0.0037 0.0568 0.0654
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.007 0.007
Echinococcus granulosus smad 0.001 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0005 0.0013 0.0052
Schistosoma mansoni ankyrin 23/unc44 0.0058 0.0948 0.1091
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0255 0.0962
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0709 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0533 0.0613
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0256 0.3608
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0797
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0709 0.6542
Echinococcus granulosus GPCR family 2 0.0019 0.0255 0.0255
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0256 0.0256
Echinococcus granulosus jun protein 0.0154 0.2655 0.2655
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0256 0.0964
Loa Loa (eye worm) hypothetical protein 0.015 0.258 1
Schistosoma mansoni hypothetical protein 0.0019 0.0255 0.0294
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0986 0.3715
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0256 0.5
Brugia malayi MH1 domain containing protein 0.001 0.0091 0.0344
Echinococcus granulosus death domain containing protein 0.0058 0.0948 0.0948
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0108 0.0108
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0256 0.236
Brugia malayi Uncoordinated protein 44 0.0058 0.0948 0.3571
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0091 0.0355
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0154 0.2655 0.2655
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0019 0.0255 0.099
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0255 0.0255
Schistosoma mansoni inositol monophosphatase 0.0045 0.0709 0.0816
Loa Loa (eye worm) hypothetical protein 0.006 0.0986 0.3823
Brugia malayi MH1 domain containing protein 0.0005 0.0013 0.0051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0255 0.0255
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0797
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0797
Brugia malayi MH2 domain containing protein 0.001 0.0091 0.0344
Trichomonas vaginalis helicase, putative 0.0008 0.0057 0.0797
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0256 0.3608
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0058 0.0952 0.1096
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0154 0.2655 0.2655
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0091 0.0091
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0256 0.4086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0797
Schistosoma mansoni Smad4 0.001 0.0091 0.0105
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0108 0.0417

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 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) = 3.5481 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.6891 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) 12.5893 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) 12.9953 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) 13.1154 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) 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 (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 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
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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