Detailed information for compound 1766332

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 516.635 | Formula: C29H36N6O3
  • H donors: 2 H acceptors: 3 LogP: 2.58 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)C1CCN(CC1)C(=O)Nc1cccc(c1)Cn1nc(ccc1=O)Nc1cccc(c1)C)CC
  • InChi: 1S/C29H36N6O3/c1-4-33(5-2)28(37)23-14-16-34(17-15-23)29(38)31-25-11-7-9-22(19-25)20-35-27(36)13-12-26(32-35)30-24-10-6-8-21(3)18-24/h6-13,18-19,23H,4-5,14-17,20H2,1-3H3,(H,30,32)(H,31,38)
  • InChiKey: SNQNPNRRUGELSY-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein 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
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
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
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative 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 carboxylesterase 5A 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
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase 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
Echinococcus multilocularis acetylcholinesterase 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
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   614 aa 547 aa 32.5 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   614 aa 602 aa 24.3 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   614 aa 642 aa 34.0 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 573 aa 30.5 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 570 aa 25.4 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 507 aa 26.4 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   614 aa 564 aa 29.8 %
Onchocerca volvulus Acetylcholinesterase   614 aa 632 aa 25.6 %
Onchocerca volvulus Acetylcholinesterase   614 aa 583 aa 30.7 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   614 aa 577 aa 40.7 %
Onchocerca volvulus Acetylcholinesterase   614 aa 581 aa 27.0 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   614 aa 642 aa 34.1 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 574 aa 24.0 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   614 aa 531 aa 39.7 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   614 aa 496 aa 24.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis dnaJ subfamily B 0.0419 0.195 0.2175
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0066 0.0071
Echinococcus multilocularis BC026374 protein (S09 family) 0.0014 0.0034 0.0035
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0356 0.0394
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0266 0.0295
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0279 0.0457
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1217 0.5728 0.6392
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.0082 0.0356 0.0584
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1901 0.896 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0014 0.0034 0.0038
Schistosoma mansoni acetylcholinesterase 0.0014 0.0034 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0014 0.002
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 1
Brugia malayi nuclear receptor RXR 0.001 0.0014 0.0013
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0266 0.0936
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0029
Schistosoma mansoni BC026374 protein (S09 family) 0.0014 0.0034 0.0035
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0014 0.0034 0.0035
Schistosoma mansoni smad1 5 8 and 0.0008 0.0008 0.0007
Leishmania major importin beta-1 subunit, putative 0.0023 0.0076 0.0073
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1901 0.896 0.896
Loa Loa (eye worm) hypothetical protein 0.0028 0.0101 0.0163
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Schistosoma mansoni hypothetical protein 0.0016 0.0046 0.0048
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0292 0.0324
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1901 0.896 0.896
Brugia malayi hypothetical protein 0.023 0.1055 0.1175
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0066 0.0104
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 1
Schistosoma mansoni hypothetical protein 0.0016 0.0046 0.0048
Schistosoma mansoni nuclear receptor 0.001 0.0014 0.0013
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0087 0.0084
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.0356 0.0394
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0046 0.0048
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.002 0.0019
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0066 0.0071
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0066 0.0063
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1217 0.5728 0.6392
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.002 0.0029
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0008 0.0007
Brugia malayi tailless protein 0.001 0.0014 0.0013
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0066 0.0071
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0076 0.0085
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0066 0.0071
Schistosoma mansoni neuroligin 3 (S09 family) 0.0014 0.0034 0.0035
Brugia malayi Cytochrome P450 family protein 0.0025 0.0087 0.0094
Schistosoma mansoni smad 0.0008 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Brugia malayi nuclear hormone receptor 0.001 0.0014 0.0013
Trypanosoma brucei protein kinase, putative 0.0052 0.0215 0.0213
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0066 0.0071
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0066 0.0071
Brugia malayi hypothetical protein 0.0014 0.0034 0.0035
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0066 0.0071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0213 0.0348
Brugia malayi nuclear receptor RXR 0.0011 0.002 0.0019
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1901 0.896 0.896
Loa Loa (eye worm) Smad1 0.0008 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0052 0.0213 0.0348
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0266 0.0295
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1901 0.896 1
Plasmodium falciparum importin beta, putative 0.0028 0.0101 0.0039
Brugia malayi TAR-binding protein 0.0066 0.0279 0.0309
Entamoeba histolytica hypothetical protein 0.0023 0.0076 0.0011
Echinococcus granulosus BC026374 protein S09 family 0.0014 0.0034 0.0035
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Schistosoma mansoni ran 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0029
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0066 0.0071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0066 0.0071
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0014 0.0013
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1901 0.896 0.896
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1901 0.896 1
Brugia malayi hypothetical protein 0.0011 0.002 0.0019
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0292 0.0324
Schistosoma mansoni smad1 5 8 and 0.0008 0.0008 0.0007
Echinococcus granulosus acetylcholinesterase 0.0082 0.0356 0.0394
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0066 0.0071
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0215 0.0238
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0008 0.0007
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0292 0.0324
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0014 0.0013
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.002 0.0019
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0014 0.0034 0.0035
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0215 0.0213
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0215 0.0213
Trichomonas vaginalis ran, putative 0.0021 0.0066 0.0074
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) carboxylesterase 0.0014 0.0034 0.0052
Brugia malayi Carboxylesterase family protein 0.0014 0.0034 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0066 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0066 0.0071
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0292 0.0479
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0014 0.0034 0.0111
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0046 0.0048
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0012 0.001
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1901 0.896 0.896
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.0356 0.0584
Brugia malayi nuclear hormone receptor 0.0021 0.0066 0.0071
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1901 0.896 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0213 0.0235
Loa Loa (eye worm) hypothetical protein 0.1217 0.5728 0.9457
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0066 0.0071
Brugia malayi MH2 domain containing protein 0.0124 0.0554 0.0616
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0279 0.0309
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1901 0.896 0.5
Echinococcus granulosus GPCR family 2 0.0016 0.0046 0.0048
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1901 0.896 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0087 0.0139
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0014 0.0013
Leishmania major GTP-binding protein, putative 0.0021 0.0066 0.0063
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0108 0.0174
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0066 0.0071
Brugia malayi Nuclear hormone receptor E75 0.001 0.0014 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0066 0.0071
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0066 0.0071
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 0.896
Echinococcus multilocularis Smad4 0.0008 0.0008 0.0007
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0266 0.0295
Schistosoma mansoni hypothetical protein 0.0016 0.0046 0.0048
Brugia malayi Carboxylesterase family protein 0.0082 0.0356 0.0394
Echinococcus granulosus tar DNA binding protein 0.0066 0.0279 0.0309
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0008 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0279 0.0309
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0066 0.0071
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0215 0.0238
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0066 0.0071
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0266 0.0264
Schistosoma mansoni hypothetical protein 0.0419 0.195 0.2175
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0264 0.0291
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.1105 0.1821
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1901 0.896 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0014 0.0034 0.0111
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Brugia malayi ecdysteroid receptor 0.0021 0.0066 0.0071
Schistosoma mansoni hypothetical protein 0.0016 0.0046 0.0048
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1217 0.5728 0.6391
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1901 0.896 1
Onchocerca volvulus 0.0014 0.0034 0.1113
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0215 0.0238
Echinococcus granulosus importin subunit beta 1 0.0028 0.0101 0.011
Schistosoma mansoni cpg binding protein 0.0031 0.0116 0.0126
Brugia malayi MH2 domain containing protein 0.0008 0.0008 0.0007
Brugia malayi RNA, U transporter 1 0.008 0.0345 0.0383
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0279 0.0309
Echinococcus granulosus survival motor neuron protein 1 0.023 0.1055 0.1175
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) RNA binding protein 0.0066 0.0279 0.0457
Schistosoma mansoni Smad4 0.0008 0.0008 0.0007
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0215 0.0352
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0066 0.0071
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0614 0.2873 0.2871
Echinococcus granulosus snurportin 1 0.0299 0.1383 0.1541
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0014 0.002
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0279 0.0309
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.002 0.0019
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0136 0.0149
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0003 0.0001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0266 0.0295
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1901 0.896 1
Brugia malayi Importin beta-1 subunit 0.0028 0.0101 0.011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0066 0.0071
Echinococcus granulosus dnaJ subfamily B 0.0419 0.195 0.2175
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0029
Schistosoma mansoni zinc finger protein 0.001 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0279 0.0309
Brugia malayi hypothetical protein 0.001 0.0014 0.0013
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0087 0.0084
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0554 0.0912
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0603 0.2823 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0066 0.0104
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0066 0.0071
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0066 0.0071
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.1055 0.1175
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0292 0.029
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0066 0.0071
Loa Loa (eye worm) carboxylesterase 0.0014 0.0034 0.0052
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1901 0.896 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0014 0.0013
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0554 0.0912
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1901 0.896 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0066 0.0071
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0003 0.0001
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0292 0.029
Schistosoma mansoni coup transcription factor 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0029
Echinococcus granulosus para nitrobenzyl esterase 0.0014 0.0034 0.0035
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1901 0.896 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1217 0.5728 0.9457
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0014 0.0013
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0087 0.0094
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0066 0.0071
Onchocerca volvulus 0.0047 0.019 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0215 0.0238
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0101 0.0098
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0008 0.001
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0016 0.0046 0.0072
Onchocerca volvulus 0.0014 0.0034 0.1113
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.1383 0.228
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0215 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0066 0.0104
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0066 0.0071
Echinococcus multilocularis GPCR, family 2 0.0016 0.0046 0.0048
Brugia malayi Carboxylesterase family protein 0.0014 0.0034 0.0035
Brugia malayi nuclear receptor NHR-88 0.0021 0.0066 0.0071
Schistosoma mansoni nuclear hormone receptor 0.001 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Brugia malayi follicle stimulating hormone receptor 0.024 0.1105 0.1231
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0014 0.0013
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0003 0.0001
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0683 0.3201 0.3571
Echinococcus granulosus cpg binding protein 0.0031 0.0116 0.0126
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0101 0.0098
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1901 0.896 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0066 0.0104
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0266 0.0295
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0215 0.024
Onchocerca volvulus 0.0029 0.0108 0.5308
Echinococcus granulosus neuroligin 0.0014 0.0034 0.0035
Brugia malayi Carboxylesterase family protein 0.0014 0.0034 0.0035
Loa Loa (eye worm) hypothetical protein 0.023 0.1055 0.1739
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0279 0.0457
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0292 0.0255
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0215 0.0213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0066 0.0071
Brugia malayi CXXC zinc finger family protein 0.0029 0.0108 0.0117
Brugia malayi nuclear receptor NHR-88 0.001 0.0014 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0066 0.0071
Schistosoma mansoni cpg binding protein 0.0029 0.0108 0.0117
Echinococcus granulosus carboxylesterase 5A 0.0082 0.0356 0.0394
Brugia malayi Smad1 0.0008 0.0008 0.0007
Schistosoma mansoni ran 0.0021 0.0066 0.0071
Schistosoma mansoni hypothetical protein 0.0299 0.1383 0.1541
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0066 0.0071
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0014 0.0013
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0066 0.0071
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0215 0.0213
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1901 0.896 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0046 0.0072
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0066 0.2924
Brugia malayi ecdysone receptor 0.001 0.0014 0.0013
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0014 0.0013
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Echinococcus multilocularis smad 0.0008 0.0008 0.0007
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0003 0.0001
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0076 0.0073
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.1901 0.896 0.896
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1901 0.896 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0603 0.2823 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0014 0.0013
Echinococcus multilocularis snurportin 1 0.0299 0.1383 0.1541
Loa Loa (eye worm) carboxylesterase 0.0082 0.0356 0.0584
Loa Loa (eye worm) hypothetical protein 0.0082 0.0356 0.0584
Loa Loa (eye worm) DR-78 0.001 0.0014 0.002
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0215 0.024
Echinococcus granulosus acetylcholinesterase 0.0082 0.0356 0.0394
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.019 0.0209
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0011 0.0009
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0008 0.0007
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.002 0.0019
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0066 0.0071
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0014 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0066 0.0104
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1901 0.896 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0215 0.0213
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0076 0.0085
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1901 0.896 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0101 0.011
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.212 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0683 0.3201 0.3573
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0213 0.0235
Onchocerca volvulus 0.0014 0.0034 0.1113
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0292 0.029
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.002 0.0019
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1217 0.5728 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0066 0.0071
Schistosoma mansoni cpg binding protein 0.0031 0.0116 0.0126
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1901 0.896 0.896
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0215 0.0168
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.212 1 1
Schistosoma mansoni importin beta-1 0.0028 0.0101 0.011
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0066 0.0063
Schistosoma mansoni gliotactin 0.0014 0.0034 0.0035
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0215 0.0213
Brugia malayi steroid hormone receptor 0.0021 0.0066 0.0071
Schistosoma mansoni nuclear receptor 0.001 0.0014 0.0013
Brugia malayi nuclear receptor NHR-67 0.001 0.0014 0.0013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0012 0.001
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0008 0.0007
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0014 0.0013
Onchocerca volvulus 0.0021 0.0066 0.2924
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1901 0.896 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.019 0.0209
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.002 0.0019
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0066 0.0063
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0266 0.0295
Brugia malayi MAP kinase sur-1 0.0052 0.0215 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0066 0.0071
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0279 0.0309
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0614 0.2873 0.2871
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0066 0.0104
Schistosoma mansoni smad1 5 8 and 0.0008 0.0008 0.0007
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0614 0.2873 0.2871
Brugia malayi Nuclear hormone receptor E75 0.001 0.0014 0.0013
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0076 0.0085
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0014 0.0013
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0614 0.2873 0.2871
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0066 0.0071
Leishmania major cytochrome p450-like protein 0.0025 0.0087 0.0084
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1901 0.896 0.896
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0014 0.0013
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0066 0.0104
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0066 0.0071
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0356 0.0394
Brugia malayi conserved hypotetical protein 0.001 0.0014 0.0013
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0014 0.0034 0.0038
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1297 0.6105 0.679
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0279 0.0309
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Brugia malayi Carboxylesterase family protein 0.0082 0.0356 0.0394
Echinococcus granulosus transcription factor Dp 1 0.004 0.0156 0.0171
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 0.896
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0614 0.2873 0.3204
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.212 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0215 0.0238
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0014 0.0013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0046 0.0048
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0066 0.0071
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0012 0.0015
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0066 0.0104
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1287 0.6056 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 0.896
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0292 0.029
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0066 0.2924
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1217 0.5728 0.9457
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0014 0.0034 0.0035
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0087 0.0139
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0614 0.2873 0.2871
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0066 0.0071
Mycobacterium ulcerans carboxylesterase, LipT 0.0014 0.0034 0.0035
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0104
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0266 0.0295
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0156 0.0171
Brugia malayi MH2 domain containing protein 0.0008 0.0008 0.0007
Onchocerca volvulus 0.0014 0.0034 0.1113
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0266 0.0295
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0215 0.024
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.022
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0215 0.0238
Echinococcus granulosus smad 0.0008 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0066 0.0071
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0101 0.011
Echinococcus granulosus Smad4 0.0008 0.0008 0.0007
Echinococcus multilocularis cpg binding protein 0.0031 0.0116 0.0126
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0066 0.2924
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1901 0.896 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0014 0.0034 0.0111
Brugia malayi hypothetical protein 0.0011 0.002 0.0019
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0066 0.0071
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0215 0.0213
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0066 0.0071
Brugia malayi MH1 domain containing protein 0.0008 0.0008 0.0007
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0046 0.0048
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0014 0.0013
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0232 0.0256
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0066 0.0071
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0014 0.0013
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0356 0.0394
Onchocerca volvulus 0.0014 0.0034 0.1113
Schistosoma mansoni hypothetical protein 0.0035 0.0136 0.0149
Brugia malayi RNA binding protein 0.0066 0.0279 0.0309
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0008 0.001
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0014 0.002
Echinococcus multilocularis neuroligin 0.0014 0.0034 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0066 0.0071
Plasmodium vivax importin-beta 2, putative 0.0028 0.0101 0.0039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0046 0.0048
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.0018 0.0053 0.0083
Schistosoma mansoni hypothetical protein 0.0047 0.019 0.0209
Brugia malayi MH1 domain containing protein 0.0008 0.0008 0.0007
Echinococcus multilocularis para nitrobenzyl esterase 0.0014 0.0034 0.0035
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1287 0.6056 1
Brugia malayi hypothetical protein 0.001 0.0014 0.0013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0014 0.0013
Brugia malayi Cytochrome P450 family protein 0.0025 0.0087 0.0094
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0087 0.0139
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0014 0.0034 0.0035
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0066 0.0071
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0066 0.0071
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1901 0.896 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0292 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0066 0.0071
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.002
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0066 0.0105
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1901 0.896 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0066 0.0071
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0046 0.0048
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0087 0.0084
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0014 0.0034 0.0035
Brugia malayi Carboxylesterase family protein 0.0014 0.0034 0.0035
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1901 0.896 0.896

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.42 uM Inhibition of AChE in rat cerebral cortex homogenates using acetylthiocholine iodide as substrate after 8 mins by Ellman's spectrophotometric method ChEMBL. 23466605

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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