Detailed information for compound 1501602

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.258 | Formula: C23H24Br2N2
  • H donors: 0 H acceptors: 0 LogP: 7.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C(CC[n+]1ccc2c(c1)cccc2)CC[n+]1ccc2c(c1)cccc2.[Br-].[Br-]
  • InChi: 1S/C23H24N2.2BrH/c1(6-14-24-16-12-20-8-2-4-10-22(20)18-24)7-15-25-17-13-21-9-3-5-11-23(21)19-25;;/h2-5,8-13,16-19H,1,6-7,14-15H2;2*1H/q+2;;/p-2
  • InChiKey: PHJFBXAIUNDKAQ-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens butyrylcholinesterase Starlite/ChEMBL References
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein butyrylcholinesterase 602 aa 546 aa 30.2 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0359 0.035
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0359 0.035
Echinococcus multilocularis cpg binding protein 0.003 0.0498 0.0489
Onchocerca volvulus 0.0028 0.0449 0.0912
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0501 0.4012
Trichomonas vaginalis set domain proteins, putative 0.0235 0.4826 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0449 0.1043
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0636 0.5271
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0501 0.0492
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Plasmodium vivax hypothetical protein, conserved 0.0063 0.1198 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0636 0.0627
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0449 0.0508
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.3326 0.7867
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0999 0.2346
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Schistosoma mansoni gliotactin 0.0028 0.0449 0.044
Brugia malayi SWIRM domain containing protein 0.0063 0.1198 0.2818
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.007 0.0144
Loa Loa (eye worm) hypothetical protein 0.0047 0.0861 0.2019
Onchocerca volvulus 0.0047 0.0861 0.1767
Schistosoma mansoni cpg binding protein 0.003 0.0498 0.0489
Brugia malayi Pre-SET motif family protein 0.0206 0.4226 1
Onchocerca volvulus 0.0028 0.0449 0.0912
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0359 0.035
Schistosoma mansoni ferritin 0.0008 0.0041 0.0032
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0359 0.5587
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0636 0.0723
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0063 0.1198 0.1189
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0449 0.0508
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0214 0.0236
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0555 0.063
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.3326 0.332
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0636 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0501 0.0568
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0636 0.1317
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.4226 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.3326 0.332
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0861 0.0983
Onchocerca volvulus 0.0235 0.4826 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0636 0.0627
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0359 0.035
Brugia malayi mbt repeat family protein 0.0047 0.0861 0.2019
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0359 0.5587
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0063 0.1198 0.1189
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0533
Loa Loa (eye worm) hypothetical protein 0.0023 0.0359 0.083
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0555 0.0546
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0464 0.1078
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0009 0.002
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0359 0.0404
Loa Loa (eye worm) hypothetical protein 0.0054 0.0999 0.2346
Plasmodium falciparum protoporphyrinogen oxidase 0.0063 0.1198 1
Onchocerca volvulus 0.0023 0.0359 0.0726
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0234 0.1891
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0359 0.083
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0449 0.044
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0861 0.0852
Plasmodium vivax hypothetical protein, conserved 0.0063 0.1198 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0359 0.2945
Onchocerca volvulus 0.0028 0.0449 0.0912
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0449 0.044
Loa Loa (eye worm) carboxylesterase 0.0028 0.0449 0.1043
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.116 0.1151
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0999 0.099
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0636 0.5271
Brugia malayi Carboxylesterase family protein 0.0028 0.0449 0.1043
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0359 0.035
Echinococcus granulosus expressed protein 0.0008 0.0041 0.0037
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0063 0.1198 0.1189
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0449 0.044
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0999 0.1143
Mycobacterium ulcerans hypothetical protein 0.0023 0.0359 0.035
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.1198 1
Plasmodium vivax SET domain protein, putative 0.003 0.0501 0.4135
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.3792 0.3786
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Loa Loa (eye worm) carboxylesterase 0.0164 0.3326 0.7867
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0234 0.0225
Trichomonas vaginalis spcc417.12 protein, putative 0.0028 0.0449 0.093
Loa Loa (eye worm) hypothetical protein 0.0023 0.0359 0.083
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0636 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0636 0.0627
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0214 0.0236
Schistosoma mansoni hypothetical protein 0.0404 0.841 0.8409
Schistosoma mansoni hypothetical protein 0.0167 0.3405 0.3398
Loa Loa (eye worm) inositol-1 0.0036 0.0636 0.1485
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0234 0.026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0036 0.0027
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0063 0.1198 0.1189
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0359 0.035
Brugia malayi CXXC zinc finger family protein 0.0028 0.0464 0.1078
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0041 0.0037
Schistosoma mansoni ferritin 0.0008 0.0041 0.0032
Brugia malayi Carboxylesterase family protein 0.0028 0.0449 0.1043
Brugia malayi Inositol-1 0.0036 0.0636 0.1485
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0449 0.0508
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3326 0.332
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0861 0.0983
Schistosoma mansoni ferritin light chain 0.0008 0.0041 0.0032
Schistosoma mansoni apoferritin-2 0.0008 0.0041 0.0032
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0041 0.0032
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0234 0.1891
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1024 0.8282
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0063 0.1198 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0359 0.035
Loa Loa (eye worm) hypothetical protein 0.0063 0.1198 0.2818
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0063 0.1198 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0999 0.1143
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0359 0.083
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0861 0.0852
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0449 0.044
Mycobacterium tuberculosis Carboxylesterase LipT 0.0028 0.0449 0.0508
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0861 0.1767
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0636 0.5113
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.1198 0.1373
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0036 0.0027
Onchocerca volvulus 0.0028 0.0464 0.0944
Schistosoma mansoni amine oxidase 0.0063 0.1198 0.1189
Echinococcus granulosus geminin 0.0167 0.3405 0.3922
Schistosoma mansoni ferritin 0.0008 0.0041 0.0032
Schistosoma mansoni acetylcholinesterase 0.0028 0.0449 0.044
Echinococcus granulosus acetylcholinesterase 0.0164 0.3326 0.3831
Brugia malayi amine oxidase, flavin-containing family protein 0.0063 0.1198 0.2818
Loa Loa (eye worm) hypothetical protein 0.0063 0.1198 0.2818
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0449 0.044
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0479 1 1
Toxoplasma gondii histone lysine-specific demethylase 0.0063 0.1198 0.9701
Brugia malayi hypothetical protein 0.0028 0.0449 0.1043
Echinococcus granulosus acetylcholinesterase 0.0164 0.3326 0.3831
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.1198 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0073 0.015
Brugia malayi Carboxylesterase family protein 0.0164 0.3326 0.7867
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0063 0.1198 1
Echinococcus granulosus ferritin 0.0008 0.0041 0.0037
Brugia malayi hypothetical protein 0.0063 0.1198 0.2818
Schistosoma mansoni ferritin 0.0008 0.0041 0.0032
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0416 0.8666 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0449 0.1043
Schistosoma mansoni cpg binding protein 0.003 0.0498 0.0489
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0359 0.2945
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0449 0.0508
Echinococcus multilocularis 0.0063 0.1198 0.1189
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0501 0.0492
Mycobacterium ulcerans dehydrogenase 0.0063 0.1198 0.1189
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.1198 0.1373
Onchocerca volvulus 0.0063 0.1198 0.2467
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0073 0.0073
Echinococcus granulosus cpg binding protein 0.003 0.0498 0.0565
Onchocerca volvulus 0.0028 0.0449 0.0912
Loa Loa (eye worm) hypothetical protein 0.0063 0.1198 0.2818
Loa Loa (eye worm) MBCTL1 0.0054 0.0999 0.2346
Trichomonas vaginalis ferritin, putative 0.0008 0.0041 0.0085
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0041 0.0032
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0533
Echinococcus multilocularis ferritin 0.0008 0.0041 0.0032
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0449 0.044
Onchocerca volvulus 0.003 0.0501 0.102
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0636 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0065 0.1234 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0041 0.0032
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0501 0.0492
Schistosoma mansoni ferritin light chain 0.0008 0.0041 0.0032
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0861 0.2019
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0359 0.2945
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0501 0.0492
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3326 0.332
Schistosoma mansoni amine oxidase 0.0063 0.1198 0.1189
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0999 0.099
Loa Loa (eye worm) hypothetical protein 0.0023 0.0359 0.083
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0359 0.083
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0636 0.1317
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0861 0.0852
Loa Loa (eye worm) hypothetical protein 0.0063 0.1198 0.2818
Mycobacterium tuberculosis Conserved hypothetical protein 0.0063 0.1198 0.1373
Echinococcus granulosus protoporphyrinogen oxidase 0.0416 0.8666 1
Echinococcus multilocularis expressed protein 0.0008 0.0041 0.0032
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0636 0.1317
Mycobacterium ulcerans oxidoreductase 0.0063 0.1198 0.1189
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0359 0.035
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0449 0.0508
Brugia malayi Carboxylesterase family protein 0.0164 0.3326 0.7867
Brugia malayi mbt repeat family protein 0.0047 0.0861 0.2019
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0063 0.1198 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0465 0.0526
Loa Loa (eye worm) hypothetical protein 0.0063 0.1198 0.2818
Echinococcus multilocularis protoporphyrinogen oxidase 0.0479 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0861 0.0852
Mycobacterium tuberculosis Possible oxidoreductase 0.0063 0.1198 0.1373
Loa Loa (eye worm) hypothetical protein 0.0164 0.3326 0.7867
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0479 1 1
Mycobacterium ulcerans monoamine oxidase 0.0063 0.1198 0.1189
Loa Loa (eye worm) carboxylesterase 0.0028 0.0449 0.1043
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0214 0.0236
Echinococcus multilocularis dnaJ subfamily B 0.0404 0.841 0.8409
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0479 1 1
Onchocerca volvulus 0.0028 0.0449 0.0912
Brugia malayi Pre-SET motif family protein 0.003 0.0501 0.1165
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0214 0.0236
Echinococcus granulosus dnaJ subfamily B 0.0404 0.841 0.9704
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0636 0.5271
Echinococcus multilocularis neuroligin 0.0028 0.0449 0.044
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0501 0.0492
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0036 0.0031
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.3792 0.4369
Loa Loa (eye worm) hypothetical protein 0.0164 0.3326 0.7867
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0359 0.035
Loa Loa (eye worm) hypothetical protein 0.0063 0.1198 0.2818
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0041 0.0037
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0449 0.044
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0028 0.0449 0.093
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0359 0.5587
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0533
Schistosoma mansoni apoferritin-2 0.0008 0.0041 0.0032
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0636 0.0627
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0533
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0073 0.0063
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0036 0.0031
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0359 0.0404
Loa Loa (eye worm) hypothetical protein 0.003 0.0501 0.1165
Schistosoma mansoni cpg binding protein 0.0028 0.0464 0.0455
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0501 0.0492
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0861 0.0852
Echinococcus granulosus neuroligin 0.0028 0.0449 0.0508
Schistosoma mansoni hypothetical protein 0.0167 0.3405 0.3398
Leishmania major UDP-galactopyranose mutase 0.0063 0.1198 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0999 0.099
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0449 0.044
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0036 0.0027
Echinococcus granulosus carboxylesterase 5A 0.0164 0.3326 0.3831
Schistosoma mansoni hypothetical protein 0.0286 0.5923 0.5919
Mycobacterium ulcerans carboxylesterase, LipT 0.0028 0.0449 0.044
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0533
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0009 0.002
Loa Loa (eye worm) hypothetical protein 0.0028 0.0449 0.1043
Echinococcus multilocularis geminin 0.0167 0.3405 0.3398

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.7 uM Inhibition of human plasmatic BChE by Lineweaver-Burk plot analysis ChEMBL. 21236521
IC50 (binding) = 13 uM Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis ChEMBL. 21236521

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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