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
Echinococcus multilocularis acetylcholinesterase 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) acetylcholinesterase 1 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 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 mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A 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 japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative 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
Echinococcus multilocularis carboxylesterase 5A 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   614 aa 642 aa 34.1 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   614 aa 642 aa 34.0 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   614 aa 496 aa 24.0 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   614 aa 547 aa 32.5 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   614 aa 531 aa 39.7 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 573 aa 30.5 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   614 aa 602 aa 24.3 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 574 aa 24.0 %
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 Acetylcholinesterase   614 aa 632 aa 25.6 %
Onchocerca volvulus Acetylcholinesterase   614 aa 581 aa 27.0 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   614 aa 564 aa 29.8 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   614 aa 577 aa 40.7 %
Onchocerca volvulus Acetylcholinesterase   614 aa 583 aa 30.7 %

Obtained from network model

Ranking Plot


Putative Targets List


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

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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