Detailed information for compound 1686708

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.639 | Formula: C29H39N3O
  • H donors: 3 H acceptors: 2 LogP: 7.72 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccccc1CNCCCCCCCCCNc1c2CCCCc2nc2c1cccc2
  • InChi: 1S/C29H39N3O/c33-28-19-11-6-14-23(28)22-30-20-12-4-2-1-3-5-13-21-31-29-24-15-7-9-17-26(24)32-27-18-10-8-16-25(27)29/h6-7,9,11,14-15,17,19,30,33H,1-5,8,10,12-13,16,18,20-22H2,(H,31,32)
  • InChiKey: DHSGJXAHIBZFFJ-UHFFFAOYSA-N  


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
Equus caballus Cholinesterase Starlite/ChEMBL References
Electrophorus electricus Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative 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 granulosus 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
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
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) hypothetical protein 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
Echinococcus multilocularis carboxylesterase 5A 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
Onchocerca volvulus Galectin homolog Cholinesterase   574 aa 531 aa 39.7 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   633 aa 549 aa 30.4 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 597 aa 25.1 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   633 aa 576 aa 28.8 %
Onchocerca volvulus Cholinesterase   574 aa 551 aa 29.9 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 620 aa 28.4 %
Onchocerca volvulus Acetylcholinesterase   633 aa 648 aa 25.3 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 517 aa 25.1 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   633 aa 507 aa 23.9 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   633 aa 690 aa 32.3 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   633 aa 690 aa 31.7 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 576 aa 23.4 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Cholinesterase   574 aa 577 aa 36.9 %
Echinococcus granulosus neuroligin Cholinesterase   574 aa 492 aa 24.4 %
Onchocerca volvulus Putative nuclear protein Cholinesterase   574 aa 572 aa 40.9 %
Brugia malayi Carboxylesterase family protein Cholinesterase   574 aa 538 aa 31.4 %
Onchocerca volvulus Cholinesterase   574 aa 578 aa 25.3 %
Schistosoma mansoni gliotactin Cholinesterase   574 aa 587 aa 27.9 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Cholinesterase   574 aa 554 aa 36.1 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   633 aa 622 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0057 0.0113
Echinococcus granulosus Sterile alpha motif type 0.0025 0.0019 0.0049
Echinococcus granulosus polycomb protein SCMH1 0.0315 0.1297 0.3291
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0177 0.0354
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0086 0.0288 0.1101
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0166 0.0421
Schistosoma mansoni jumonji domain containing protein 0.0026 0.002 0.004
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0065 0.0165
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0019 0.065
Schistosoma mansoni zinc finger protein 0.003 0.0041 0.0082
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0613 0.2615 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0062 0.0181 0.0361
Echinococcus multilocularis para nitrobenzyl esterase 0.0154 0.0589 0.1494
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0065 0.0248
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0303 0.0606
Mycobacterium ulcerans epoxide hydrolase EphA 0.049 0.2069 0.786
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0086 0.0288 0.0288
Echinococcus granulosus lysine specific demethylase 5A 0.0099 0.0345 0.0875
Echinococcus granulosus BC026374 protein S09 family 0.0154 0.0589 0.1494
Brugia malayi Sphingomyelin synthase-related 1 0.0025 0.0019 0.0019
Echinococcus granulosus histone acetyltransferase myst3 0.0046 0.0112 0.0284
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.0135 0.0517
Trichomonas vaginalis cgi-62, putative 0.0025 0.0019 0.0074
Brugia malayi hypothetical protein 0.0025 0.0019 0.0019
Loa Loa (eye worm) transcription factor SMAD2 0.0238 0.0956 0.0956
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0222 0.0563
Giardia lamblia Transcriptional regulator, Sir2 family 0.0052 0.0135 0.432
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0086 0.0288 0.0731
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0086 0.0288 0.1101
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0057 0.0113
Onchocerca volvulus 0.0154 0.0589 0.274
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0025 0.0019 0.0049
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0715 0.3063 0.7772
Echinococcus granulosus GPCR family 2 0.0048 0.0117 0.0297
Loa Loa (eye worm) hypothetical protein 0.2287 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.015 0.057 0.1448
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0052 0.0135 0.049
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0065 1
Echinococcus multilocularis cpg binding protein 0.0049 0.0125 0.0318
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0065 0.013
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0032 0.0032
Schistosoma mansoni sex comb on midleg homolog 0.0315 0.1297 0.2592
Trypanosoma brucei ISWI complex protein 0.003 0.0041 0.0041
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.012 0.0438 0.1112
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0065 0.0065
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0019 0.0019
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0166 0.0332
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0086 0.0288 0.0575
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0154 0.0589 0.1494
Schistosoma mansoni lip-related protein (liprin) alpha 0.0025 0.0019 0.0038
Onchocerca volvulus 0.0074 0.0235 0.1094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0166 0.0396
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0088 0.0088
Onchocerca volvulus 0.0036 0.0065 0.0302
Loa Loa (eye worm) hypothetical protein 0.0508 0.2148 0.2148
Trypanosoma cruzi ISWI complex protein 0.003 0.0041 0.0041
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0715 0.3063 0.7772
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Toxoplasma gondii hypothetical protein 0.0026 0.0021 0.008
Brugia malayi coiled-coil like protein 1 0.0025 0.0019 0.0019
Schistosoma mansoni myst-related protein 0.0023 0.0008 0.0015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0099 0.0345 0.0689
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0065 0.0065
Plasmodium vivax NAD-dependent deacetylase, putative 0.0052 0.0135 0.4699
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.015 0.057 0.057
Loa Loa (eye worm) beta-lactamase 0.0036 0.0065 0.0065
Brugia malayi PHD-finger family protein 0.0071 0.0219 0.0219
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0183 0.0365
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0052 0.0135 0.4699
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Echinococcus granulosus cpg binding protein 0.0049 0.0125 0.0318
Echinococcus granulosus histone acetyltransferase KAT2B 0.0052 0.0135 0.0342
Brugia malayi CXXC zinc finger family protein 0.0028 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.0571 0.0571
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0166 0.0635
Mycobacterium tuberculosis Carboxylesterase LipT 0.0154 0.0589 0.2613
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0025 0.0019 0.0049
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0024 0.0024
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0026 0.002 0.0051
Echinococcus granulosus acetylcholinesterase 0.0914 0.3941 1
Loa Loa (eye worm) mbt repeat family protein 0.0326 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0509 0.2154 0.2154
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.1036 0.1036
Echinococcus granulosus polyhomeotic proximal chromatin protein 0.0025 0.0019 0.0049
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.012 0.0438 0.1112
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0288 0.1101
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0065 0.0065
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0057 0.0143
Onchocerca volvulus Tankyrase homolog 0.0025 0.0019 0.0089
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0166 0.0504
Loa Loa (eye worm) tnks protein 0.0025 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0026 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0086 0.0288 1
Brugia malayi beta-lactamase 0.0036 0.0065 0.0065
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0065 0.0065
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0222 0.0563
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0164 0.0631 0.1262
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0086 0.0288 0.0288
Echinococcus multilocularis acetylcholinesterase 0.0914 0.3941 1
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0025 0.0019 0.0019
Schistosoma mansoni cpg binding protein 0.0028 0.0032 0.0065
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.014 0.0524 0.1328
Brugia malayi AIDA-1b 0.0025 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Echinococcus granulosus histone acetyltransferase KAT2B 0.0155 0.0591 0.15
Schistosoma mansoni hypothetical protein 0.0048 0.0117 0.0234
Onchocerca volvulus 0.0026 0.0024 0.0111
Echinococcus multilocularis chromobox protein 2 0.0199 0.0783 0.1988
Brugia malayi SET domain containing protein 0.0024 0.0013 0.0013
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0433 0.182 0.182
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0613 0.2615 0.2615
Schistosoma mansoni intermediate filament proteins 0.0026 0.0024 0.0048
Echinococcus granulosus intermediate filament protein 0.0026 0.0024 0.0061
Mycobacterium ulcerans carboxylesterase, LipT 0.0154 0.0589 0.2054
Schistosoma mansoni hypothetical protein 0.0166 0.0641 0.1281
Leishmania major hypothetical protein, conserved 0.0036 0.0065 0.0046
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0052 0.0135 0.0351
Schistosoma mansoni hypothetical protein 0.0048 0.0117 0.0234
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0033 0.0051 0.013
Schistosoma mansoni hypothetical protein 0.0041 0.0088 0.0176
Loa Loa (eye worm) AIDA-1b 0.0025 0.0019 0.0019
Brugia malayi CHD4 protein 0.0033 0.0051 0.0051
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0086 0.0288 0.1075
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0154 0.0589 0.1176
Echinococcus multilocularis polycomb protein SCMH1 0.0315 0.1297 0.3291
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0086 0.0288 0.0731
Echinococcus multilocularis histone acetyltransferase myst3 0.0046 0.0112 0.0284
Echinococcus granulosus lamin 0.0026 0.0024 0.0061
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0052 0.0135 0.0515
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0052 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0914 0.3941 0.3941
Brugia malayi hypothetical protein 0.0509 0.2154 0.2154
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0019 0.0019
Echinococcus multilocularis carboxylesterase 5A 0.0914 0.3941 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0154 0.0589 0.1176
Trichomonas vaginalis bromodomain-containing protein, putative 0.0052 0.0135 0.0515
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0613 0.2615 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0033 0.0051 0.0102
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0177 0.0177
Onchocerca volvulus 0.0025 0.0019 0.0089
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.0916 0.4245
Brugia malayi Carboxylesterase family protein 0.0154 0.0589 0.0589
Schistosoma mansoni cpg binding protein 0.0049 0.0125 0.025
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0361 0.0361
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0177 0.0177
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0024 0.0024
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.1155 0.5004 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0303 0.0606
Echinococcus multilocularis lamin dm0 0.0026 0.0024 0.0061
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0052 0.0135 0.0117
Brugia malayi Shank2E 0.0025 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0048 0.0117 0.0234
Toxoplasma gondii ABC1 family protein 0.0036 0.0065 0.0248
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0052 0.0135 0.0515
Schistosoma mansoni hypothetical protein 0.0103 0.0361 0.0721
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0154 0.0589 0.2252
Echinococcus granulosus SAM and MBT domain containing protein 0.0435 0.1827 0.4635
Onchocerca volvulus 0.0036 0.0065 0.0302
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0019 0.065
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0177 0.0354
Echinococcus multilocularis histone acetyltransferase MYST2 0.015 0.057 0.1448
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0065 0.0248
Onchocerca volvulus 0.0493 0.2084 0.9701
Echinococcus granulosus para nitrobenzyl esterase 0.0154 0.0589 0.1494
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0065 0.0248
Loa Loa (eye worm) hypothetical protein 0.0613 0.2615 0.2615
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0303 0.0606
Schistosoma mansoni hypothetical protein 0.0048 0.0117 0.0234
Echinococcus granulosus chromobox protein 2 0.0199 0.0783 0.1988
Schistosoma mansoni zinc finger protein 0.006 0.0172 0.0344
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0024 0.0024
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0019 0.0072
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.014 0.0524 0.1328
Loa Loa (eye worm) hypothetical protein 0.0086 0.0288 0.0288
Onchocerca volvulus 0.0154 0.0589 0.274
Brugia malayi MH2 domain containing protein 0.0238 0.0956 0.0956
Trypanosoma cruzi Kinesin-13 5, putative 0.0025 0.0019 0.0019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0117 0.0297
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0086 0.0288 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0097 0.3361
Trichomonas vaginalis esterase, putative 0.0036 0.0065 0.0248
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0177 0.045
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0117 0.0297
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Onchocerca volvulus 0.0025 0.0019 0.0089
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0117 0.0297
Schistosoma mansoni SET domain protein 0.0024 0.0013 0.0026
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.033 0.1362 0.3457
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0097 0.0333 0.0846
Brugia malayi jmjC domain containing protein 0.0026 0.002 0.002
Loa Loa (eye worm) carboxylesterase 0.0914 0.3941 0.3941
Echinococcus granulosus polyhomeotic protein 2 0.0025 0.0019 0.0049
Brugia malayi Bromodomain containing protein 0.008 0.026 0.026
Brugia malayi Carboxylesterase family protein 0.0914 0.3941 0.3941
Brugia malayi hypothetical protein 0.0025 0.0019 0.0019
Loa Loa (eye worm) CHromoDomain protein family member 0.0033 0.0051 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0303 0.0769
Schistosoma mansoni myst-related protein 0.0023 0.0008 0.0015
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0164 0.0631 0.1602
Loa Loa (eye worm) acetyltransferase 0.0164 0.0631 0.0631
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0613 0.2615 0.2615
Entamoeba histolytica hypothetical protein 0.0086 0.0288 0.1075
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0613 0.2615 0.2615
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0026 0.002 0.0051
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Echinococcus multilocularis lamin 0.0026 0.0024 0.0061
Echinococcus granulosus geminin 0.0166 0.0641 0.1626
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0086 0.0288 0.1101
Echinococcus granulosus liprin alpha 2 0.0025 0.0019 0.0049
Schistosoma mansoni sex comb on midleg homolog 0.0315 0.1297 0.2592
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0166 0.0332
Brugia malayi hypothetical protein 0.0154 0.0589 0.0589
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0086 0.0288 0.1101
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0019 0.065
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0019 0.0074
Echinococcus granulosus sphingomyelin synthase protein 1 0.0025 0.0019 0.0049
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0435 0.1827 0.365
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0097 0.0342
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0052 0.0135 0.468
Echinococcus granulosus tar DNA binding protein 0.0061 0.0177 0.045
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0177 0.0354
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0062 0.0181 0.0459
Echinococcus multilocularis liprin alpha 2 0.0025 0.0019 0.0049
Loa Loa (eye worm) hypothetical protein 0.0097 0.0333 0.0333
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0613 0.2615 0.2601
Brugia malayi intermediate filament protein 0.0026 0.0024 0.0024
Echinococcus granulosus carboxylesterase 5A 0.0914 0.3941 1
Brugia malayi Pre-SET motif family protein 0.0063 0.0184 0.0184
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0025 0.0019 0.0038
Loa Loa (eye worm) hypothetical protein 0.0048 0.0117 0.0117
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0613 0.2615 1
Echinococcus granulosus synaptic glycoprotein sc2 0.0086 0.0288 0.0731
Schistosoma mansoni lamin 0.0026 0.0024 0.0048
Echinococcus multilocularis liprin alpha 2 0.0025 0.0019 0.0049
Trypanosoma brucei C-8 sterol isomerase, putative 0.2287 1 1
Brugia malayi Carboxylesterase family protein 0.0154 0.0589 0.0589
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0154 0.0589 0.1176
Onchocerca volvulus 0.0154 0.0589 0.274
Brugia malayi TAR-binding protein 0.0061 0.0177 0.0177
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0166 0.0396
Schistosoma mansoni jumonji/arid domain-containing protein 0.0099 0.0345 0.0689
Loa Loa (eye worm) hypothetical protein 0.014 0.0527 0.0527
Brugia malayi RNA binding protein 0.0061 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0086 0.0288 0.1075
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0184 0.0367
Brugia malayi Carboxylesterase family protein 0.0154 0.0589 0.0589
Leishmania major C-8 sterol isomerase-like protein 0.2287 1 1
Echinococcus granulosus histone acetyltransferase MYST2 0.015 0.057 0.1448
Schistosoma mansoni Protein aveugle 0.0025 0.0019 0.0038
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.0571 0.0571
Plasmodium vivax JmjC domain containing protein 0.0029 0.0036 0.1264
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 0.0956 0.0956
Loa Loa (eye worm) hypothetical protein 0.015 0.057 0.057
Onchocerca volvulus 0.0025 0.0019 0.0089
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0914 0.3941 0.7876
Loa Loa (eye worm) acetylcholinesterase 1 0.0914 0.3941 0.3941
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0041 0.0041
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0117 0.0117
Schistosoma mansoni gliotactin 0.0154 0.0589 0.1176
Echinococcus granulosus pdz domain containing protein 0.0025 0.0019 0.0049
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0154 0.0589 0.2613
Schistosoma mansoni bromodomain containing protein 0.003 0.0038 0.0076
Onchocerca volvulus 0.0036 0.0065 0.0302
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0025 0.0019 0.0019
Mycobacterium ulcerans hydrolase/amidase 0.0267 0.1084 0.3997
Brugia malayi Carboxylesterase family protein 0.0154 0.0589 0.0589
Giardia lamblia Synaptic glycoprotein SC2 0.0086 0.0288 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0062 0.0181 0.0459
Loa Loa (eye worm) hypothetical protein 0.1169 0.5066 0.5066
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0086 0.0288 0.0575
Brugia malayi Pre-SET motif family protein 0.0433 0.182 0.182
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0117 0.0117
Plasmodium falciparum zinc finger protein, putative 0.0023 0.0008 0.0265
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0166 0.0421
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0033 0.0051 0.0195
Loa Loa (eye worm) hypothetical protein 0.003 0.0038 0.0038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0166 0.0148
Schistosoma mansoni acetylcholinesterase 0.0154 0.0589 0.1176
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0065 0.0248
Schistosoma mansoni Protein aveugle 0.0025 0.0019 0.0038
Schistosoma mansoni lamin 0.0026 0.0024 0.0048
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0052 0.0135 0.0135
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0065 0.0165
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0303 0.0769
Plasmodium vivax polyprenol reductase, putative 0.0086 0.0288 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0117 0.0297
Echinococcus granulosus Sterile alpha motif SAM 0.0025 0.0019 0.0049
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0184 0.0466
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Brugia malayi beta-lactamase family protein 0.0036 0.0065 0.0065
Toxoplasma gondii histone deacetylase SIR2 0.0052 0.0135 0.0517
Trypanosoma cruzi hypothetical protein 0.0025 0.0019 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0303 0.0769
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0613 0.2615 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0019
Trypanosoma cruzi ISWI complex protein 0.003 0.0041 0.0041
Plasmodium vivax protein kinase, putative 0.0025 0.0019 0.0668
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.0135 0.0517
Schistosoma mansoni DNAj-like protein 0.0025 0.0019 0.0038
Schistosoma mansoni spingomyelin synthetase-related 0.0025 0.0019 0.0038
Brugia malayi follicle stimulating hormone receptor 0.0256 0.1036 0.1036
Onchocerca volvulus 0.0086 0.0288 0.134
Loa Loa (eye worm) bromodomain containing protein 0.0039 0.0079 0.0079
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0303 0.0303
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0065 0.0248
Onchocerca volvulus 0.0026 0.0024 0.0111
Brugia malayi hypothetical protein 0.0025 0.0019 0.0019
Loa Loa (eye worm) carboxylesterase 0.0154 0.0589 0.0589
Echinococcus multilocularis Sterile alpha motif type 0.0025 0.0019 0.0049
Echinococcus multilocularis neuroligin 0.0154 0.0589 0.1494
Echinococcus multilocularis lysine specific demethylase 5A 0.0078 0.0252 0.0639
Loa Loa (eye worm) hypothetical protein 0.015 0.0571 0.0571
Loa Loa (eye worm) hypothetical protein 0.0086 0.0288 0.0288
Trichomonas vaginalis spcc417.12 protein, putative 0.0154 0.0589 0.2252
Schistosoma mansoni hypothetical protein 0.0166 0.0641 0.1281
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0177 0.0354
Loa Loa (eye worm) hypothetical protein 0.0085 0.0281 0.0281
Brugia malayi Liprin-alpha 2 0.0025 0.0019 0.0019
Echinococcus granulosus lamin dm0 0.0026 0.0024 0.0061
Brugia malayi Carboxylesterase family protein 0.0914 0.3941 0.3941
Echinococcus multilocularis acetylcholinesterase 0.0914 0.3941 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0065 1
Echinococcus multilocularis polyhomeotic proximal chromatin protein 0.0025 0.0019 0.0049
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0052 0.0135 0.0135
Loa Loa (eye worm) RNA binding protein 0.0061 0.0177 0.0177
Echinococcus granulosus zinc finger protein 0.006 0.0172 0.0436
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0025 0.0019 0.0049
Schistosoma mansoni hypothetical protein 0.0025 0.0019 0.0038
Loa Loa (eye worm) hypothetical protein 0.0106 0.0374 0.0374
Schistosoma mansoni neuroligin 3 (S09 family) 0.0154 0.0589 0.1176
Onchocerca volvulus 0.0154 0.0589 0.274
Loa Loa (eye worm) hypothetical protein 0.0914 0.3941 0.3941
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0154 0.0589 0.1494
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0086 0.0288 0.1101
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0333 0.0666
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0025 0.0019 0.0019
Schistosoma mansoni cpg binding protein 0.0049 0.0125 0.025
Onchocerca volvulus 0.0025 0.0019 0.0089
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0074 0.0235 0.047
Schistosoma mansoni hypothetical protein 0.033 0.1362 0.2722
Trichomonas vaginalis set domain proteins, putative 0.0493 0.2084 0.7971
Schistosoma mansoni bromodomain containing protein 0.0147 0.0555 0.1109
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0086 0.0288 0.1101
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.015 0.057 0.1448
Echinococcus multilocularis geminin 0.0166 0.0641 0.1626
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0613 0.2615 1
Mycobacterium ulcerans NAD-dependent deacetylase 0.0052 0.0135 0.0276
Schistosoma mansoni chromatin regulatory protein sir2 0.0052 0.0135 0.027
Mycobacterium ulcerans hypothetical protein 0.0613 0.2615 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0171 0.0434
Echinococcus multilocularis zinc finger protein 0.006 0.0172 0.0436
Plasmodium falciparum JmjC domain-containing protein, putative 0.0029 0.0036 0.1264
Schistosoma mansoni polyhomeotic 0.0025 0.0019 0.0038
Echinococcus granulosus neuroligin 0.0154 0.0589 0.1494
Brugia malayi jmjC domain containing protein 0.0143 0.054 0.054
Schistosoma mansoni hypothetical protein 0.003 0.0041 0.0082
Onchocerca volvulus 0.0154 0.0589 0.274
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0025 0.0019 0.0019
Echinococcus multilocularis BC026374 protein (S09 family) 0.0154 0.0589 0.1494
Loa Loa (eye worm) carboxylesterase 0.0154 0.0589 0.0589
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0177 0.0354
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0177 0.0177
Brugia malayi cask-interacting protein 2 0.0025 0.0019 0.0019
Plasmodium falciparum polyprenol reductase, putative 0.0086 0.0288 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0052 0.0135 0.0515
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0288 0.1101
Echinococcus multilocularis SAM and MBT domain containing protein 0.0435 0.1827 0.4635
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0154 0.0589 0.2613
Schistosoma mansoni myelin transcription factor 1 myt1 0.015 0.057 0.114
Echinococcus granulosus liprin alpha 2 0.0025 0.0019 0.0049
Loa Loa (eye worm) MBCTL1 0.015 0.057 0.057
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0154 0.0589 0.1176
Onchocerca volvulus 0.0351 0.1457 0.6783
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.049 0.2069 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0033 0.0051 0.013
Brugia malayi mbt repeat family protein 0.0326 0.1345 0.1345
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0057 0.0143
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0613 0.2615 0.2615
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0097 0.2886
Loa Loa (eye worm) hypothetical protein 0.0026 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0103 0.0361 0.0361
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0192 0.0736
Onchocerca volvulus 0.0025 0.0019 0.0089
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0065
Echinococcus multilocularis polyhomeotic protein 2 0.0025 0.0019 0.0049
Onchocerca volvulus 0.0028 0.0032 0.0151
Schistosoma mansoni phd finger protein 0.0046 0.0112 0.0224
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.0135 0.0517
Echinococcus multilocularis GPCR, family 2 0.0048 0.0117 0.0297
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0025 0.0019 0.0074
Echinococcus multilocularis pdz domain containing protein 0.0025 0.0019 0.0049
Trypanosoma cruzi Kinesin-13 5, putative 0.0025 0.0019 0.0019
Brugia malayi Synaptic glycoprotein SC2 0.0086 0.0288 0.0288
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0166 0.0396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0303 0.0769
Loa Loa (eye worm) hypothetical protein 0.0076 0.0243 0.0243
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2287 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0019 0.0019
Brugia malayi acetyltransferase, GNAT family protein 0.0164 0.0631 0.0631
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0303 0.0303
Echinococcus multilocularis Sterile alpha motif SAM 0.0025 0.0019 0.0049
Brugia malayi beta-lactamase family protein 0.0036 0.0065 0.0065
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.0571 0.0571
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0065 0.2257
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0508 0.2148 1
Onchocerca volvulus 0.0024 0.0013 0.006
Onchocerca volvulus 0.0025 0.0019 0.0089
Leishmania major hypothetical protein, conserved 0.003 0.0041 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.0097 0.0333 0.0846
Schistosoma mansoni hypothetical protein 0.0025 0.0019 0.0038
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0065 0.013
Schistosoma mansoni chromobox protein 0.0199 0.0783 0.1566
Echinococcus multilocularis musashi 0.0026 0.0024 0.0061
Loa Loa (eye worm) jmjC domain-containing protein 0.0143 0.054 0.054
Brugia malayi mbt repeat family protein 0.0508 0.2148 0.2148
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0073 0.023 0.0878
Echinococcus granulosus acetylcholinesterase 0.0914 0.3941 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0333 0.0666
Plasmodium vivax SET domain protein, putative 0.0063 0.0184 0.6385
Toxoplasma gondii PLU-1 family protein 0.0044 0.0102 0.0392
Echinococcus multilocularis synaptic glycoprotein sc2 0.0086 0.0288 0.0731
Brugia malayi Bromodomain containing protein 0.017 0.0658 0.0658
Brugia malayi bicaudal-C 0.0025 0.0019 0.0019
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.033 0.1362 0.3457

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.52 nM Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method ChEMBL. 22944335
IC50 (binding) = 8.2 nM Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method ChEMBL. 22944335

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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