Detailed information for compound 78831

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 508.578 | Formula: C29H31F3N4O
  • H donors: 0 H acceptors: 1 LogP: 5.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)N1CN(C(=O)C21CCN(CC2)CCCN(c1ccc(cc1)F)c1ccc(cc1)F)C
  • InChi: 1S/C29H31F3N4O/c1-33-21-36(27-13-7-24(32)8-14-27)29(28(33)37)15-19-34(20-16-29)17-2-18-35(25-9-3-22(30)4-10-25)26-11-5-23(31)6-12-26/h3-14H,2,15-21H2,1H3
  • InChiKey: ZMOJZPYLQIUEOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0167 0.0499 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0167 0.0499 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0015 0.0013 0.017
Loa Loa (eye worm) hypothetical protein 0.0071 0.0192 0.0191
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0015 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0163 0.1741
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0115 0.0114
Brugia malayi hypothetical protein 0.0167 0.0499 0.1087
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0167 0.0499 0.5639
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0167 0.0499 0.0497
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0037 0.0036
Brugia malayi Pre-SET motif family protein 0.003 0.006 0.0129
Schistosoma mansoni lipoxygenase 0.006 0.0157 0.0156
Echinococcus granulosus aminopeptidase N 0.0167 0.0499 0.0497
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0153 0.0151
Loa Loa (eye worm) aminopeptidase N 0.0167 0.0499 0.0497
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0159 0.0158
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0015 0.0013 0.0013
Echinococcus granulosus jun protein 0.0084 0.0235 0.0234
Brugia malayi Peptidase family M1 containing protein 0.0167 0.0499 0.1087
Schistosoma mansoni zinc finger protein 0.0021 0.0033 0.0033
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0002 0.0016
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0015 0.0013 0.0224
Brugia malayi RNase H family protein 0.0022 0.0035 0.0073
Brugia malayi CXXC zinc finger family protein 0.0028 0.0055 0.0117
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0026 0.0053
Loa Loa (eye worm) hypothetical protein 0.0047 0.0115 0.0114
Schistosoma mansoni hypothetical protein 0.0335 0.1036 0.1036
Leishmania major hypothetical protein, conserved 0.0025 0.0046 0.0734
Trypanosoma cruzi ISWI complex protein 0.0015 0.0015 0.0253
Entamoeba histolytica DNA repair and recombination protein, putative 0.0062 0.0163 0.1859
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0034 0.0033
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.0724 0.0723
Loa Loa (eye worm) hypothetical protein 0.0022 0.0037 0.0036
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0026 0.0474
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.0409 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0037 0.0735
Echinococcus granulosus geminin 0.0335 0.1036 0.1035
Schistosoma mansoni hypothetical protein 0.0068 0.0185 0.0184
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0054 0.0138 0.0137
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0026 0.0024
Trypanosoma cruzi aminopeptidase, putative 0.0167 0.0499 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Echinococcus multilocularis dna polymerase eta 0.0014 0.0011 0.0009
Toxoplasma gondii aminopeptidase N, putative 0.0167 0.0499 1
Onchocerca volvulus 0.0021 0.0034 0.0464
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0034 0.0033
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0015 0.0013 0.017
Brugia malayi polk-prov protein 0.003 0.0062 0.0133
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0026 0.0502
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0037 0.0079
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.0874 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0066 0.0065
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0014 0.0011 0.0009
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0001 0.0001
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0056 0.1125
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0001 0.0001
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.012 0.026
Onchocerca volvulus 0.0167 0.0499 0.7079
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0037 0.0036
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0092 0.009
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0001 0.0001
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0075 0.0074
Brugia malayi DNA polymerase family B containing protein 0.0015 0.0013 0.0026
Schistosoma mansoni phosphoglucomutase 0.0022 0.0035 0.0034
Schistosoma mansoni jun-related protein 0.0068 0.0185 0.0184
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.006 0.006
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0046 0.092
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0015 0.0013 0.0012
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0021 0.002
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0084 0.0235 0.0234
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0015 0.0013 0.0053
Brugia malayi DNA polymerase alpha catalytic subunit 0.0044 0.0105 0.0228
Loa Loa (eye worm) hypothetical protein 0.0167 0.0499 0.0497
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0006 0.0005
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0015 0.0013 0.0012
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0001
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0167 0.0499 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0014 0.0011 0.0009
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0056 0.1116
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0084 0.0235 0.0234
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0054 0.0138 0.0137
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.002 0.003 0.0029
Schistosoma mansoni hypothetical protein 0.0081 0.0225 0.0224
Schistosoma mansoni lipoxygenase 0.0021 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0039 0.0089 0.0087
Echinococcus multilocularis geminin 0.0335 0.1036 0.1035
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0157 0.0156
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.0874 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.0614 0.0613
Schistosoma mansoni rab6-interacting 0.0021 0.0034 0.0033
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.002
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0043 0.0042
Schistosoma mansoni polycystin 1-related 0.0021 0.0034 0.0033
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0015 0.0013 0.0053
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0037 0.0079
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Brugia malayi hypothetical protein 0.0237 0.0724 0.158
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0026 0.0024
Loa Loa (eye worm) TATA binding protein associated factor 0.0167 0.0499 0.0497
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0022 0.0021
Entamoeba histolytica recQ family helicase, putative 0.0022 0.0037 0.0418
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0043 0.0042
Brugia malayi bZIP transcription factor family protein 0.0084 0.0235 0.0511
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0015 0.0013 0.0012
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0015 0.0013 0.0026
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.0011 0.0001 0.0002
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0026 0.0144
Treponema pallidum ribonuclease H (rnhA) 0.0022 0.0035 0.0375
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Giardia lamblia PHD finger protein 15 0.0028 0.0056 0.0499
Entamoeba histolytica hypothetical protein, conserved 0.0062 0.0163 0.1859
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.0037 0.0279
Trypanosoma cruzi ISWI complex protein 0.0015 0.0015 0.0253
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0054 0.0138 0.0137
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0044 0.0105 0.2114
Toxoplasma gondii exonuclease III APE 0.0019 0.0026 0.0513
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0167 0.0499 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0349 0.0347
Toxoplasma gondii DNA polymerase 0.0015 0.0013 0.0264
Schistosoma mansoni rab6-interacting 0.0021 0.0034 0.0033
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0167 0.0499 0.5639
Brugia malayi hypothetical protein 0.0066 0.0177 0.0384
Brugia malayi hypothetical protein 0.0025 0.0046 0.0099
Brugia malayi PHD-finger family protein 0.0028 0.0056 0.012
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0031 0.0421
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0046 0.0893
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0001 0.0001
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Loa Loa (eye worm) RecQ helicase 0.0022 0.0037 0.0036
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0062 0.0163 0.3242
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0014 0.0011 0.0009
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0041 0.0616
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0001 0.0013
Schistosoma mansoni terminal deoxycytidyl transferase 0.0014 0.0011 0.001
Echinococcus granulosus cpg binding protein 0.0031 0.0066 0.0065
Onchocerca volvulus 0.0066 0.0177 0.2504
Onchocerca volvulus Alhambra homolog 0.0028 0.0056 0.0781
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.1239 0.1238
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0015 0.0013 0.0224
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0062 0.0163 0.3242
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0015 0.0013 0.0224
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0093 0.1696
Echinococcus multilocularis muscleblind protein 1 0.015 0.0445 0.0444
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0162 0.0161
Brugia malayi hypothetical protein 0.0021 0.0034 0.0071
Echinococcus multilocularis RUN 0.0021 0.0034 0.0033
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0001 0.0001
Mycobacterium ulcerans aminopeptidase N PepN 0.0167 0.0499 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0037 0.0036
Loa Loa (eye worm) hypothetical protein 0.0028 0.0056 0.0055
Onchocerca volvulus 0.0028 0.0055 0.0764
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0262 0.0261
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0262 0.0261
Loa Loa (eye worm) leukotriene A4 hydrolase 0.3137 1 1
Brugia malayi MH2 domain containing protein 0.012 0.0349 0.0759
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0001 0.0001
Trypanosoma brucei unspecified product 0.0023 0.0041 0.0616
Brugia malayi hypothetical protein 0.0167 0.0499 0.1087
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0115 0.0114
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0034 0.0668
Echinococcus granulosus bloom syndrome protein 0.0022 0.0037 0.0036
Loa Loa (eye worm) peptidase family M1 containing protein 0.0167 0.0499 0.0497
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0157 0.0156
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0037 0.0279
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0093 0.1433
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0037 0.0708
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0062 0.0163 0.3124
Brugia malayi Peptidase family M1 containing protein 0.0167 0.0499 0.1087
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0001 0.0001
Schistosoma mansoni coup transcription factor 0.0011 0.0001 0.0001
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0032 0.003
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0015 0.0013 0.0253
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0011 0.002
Trypanosoma brucei ribonuclease H1 0.0022 0.0035 0.0495
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0032 0.0067
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0002 0.0001
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.002 0.0019
Toxoplasma gondii aminopeptidase n, putative 0.0167 0.0499 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0201 0.0201
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0115 0.0114
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0081 0.008
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0026 0.0144
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0026 0.0144
Brugia malayi Doublecortin family protein 0.0021 0.0034 0.0071
Toxoplasma gondii ribonuclease HI protein 0.0022 0.0035 0.0696
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0035 0.0658
Brugia malayi Muscleblind-like protein 0.015 0.0445 0.0969
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0026 0.027
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0017 0.0134
Echinococcus granulosus dna polymerase eta 0.0014 0.0011 0.0009
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0024 0.0041 0.0321
Echinococcus multilocularis leukotriene A 4 hydrolase 0.3137 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0017 0.0134
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0162 0.0161
Giardia lamblia Rrm3p helicase 0.0062 0.0163 0.1741
Entamoeba histolytica aminopeptidase, putative 0.0167 0.0499 0.5701
Echinococcus granulosus dna polymerase kappa 0.004 0.0093 0.0092
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0002 0.003
Loa Loa (eye worm) hypothetical protein 0.015 0.0445 0.0444
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0146 0.2926
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0093 0.1839
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0037 0.0036
Brugia malayi hypothetical protein 0.0016 0.0018 0.0036
Loa Loa (eye worm) hypothetical protein 0.015 0.0445 0.0444
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0011 0.002
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0167 0.0499 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0002 0.004
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0046 0.093
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0006 0.0005
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0023 0.0041 0.0616
Giardia lamblia DINP protein human, muc B family 0.0021 0.0031 0.0208
Onchocerca volvulus 0.0167 0.0499 0.7079
Plasmodium vivax SET domain protein, putative 0.003 0.006 0.1198
Schistosoma mansoni phosphoglucomutase 0.0022 0.0035 0.0034
Toxoplasma gondii aminopeptidase N protein 0.0167 0.0499 1
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0015 0.0014 0.0157
Trichomonas vaginalis DNA polymerase II, putative 0.0024 0.0041 0.0321
Schistosoma mansoni hypothetical protein 0.0062 0.0163 0.0162
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0015 0.0013 0.0253
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0167 0.0499 1
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0093 0.0931
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Plasmodium falciparum phd finger protein, putative 0.0028 0.0056 0.1116
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0015 0.0013 0.0012
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0043 0.0042
Trypanosoma brucei aminopeptidase, putative 0.0167 0.0499 1
Onchocerca volvulus 0.0231 0.0704 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0001
Schistosoma mansoni cpg binding protein 0.0028 0.0055 0.0054
Schistosoma mansoni ap endonuclease 0.0019 0.0026 0.0025
Schistosoma mansoni hypothetical protein 0.0011 0.0002 0.0001
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0093 0.1433
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0015 0.0013 0.0253
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0015 0.0013 0.0053
Plasmodium vivax DNA polymerase alpha, putative 0.0044 0.0105 0.2106
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0086 0.0085
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0167 0.0499 0.0498
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0062 0.106
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Brugia malayi TATA binding protein associated factor 0.0167 0.0499 0.1087
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0002 0.0001
Brugia malayi DNA polymerase delta catalytic subunit 0.0015 0.0013 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0062 0.106
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0037 0.0746
Brugia malayi RNase H family protein 0.0022 0.0035 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0046 0.0893
Trypanosoma cruzi aminopeptidase, putative 0.0167 0.0499 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0021 0.0034 0.0033
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0056 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0015 0.0013 0.0143
Giardia lamblia DNA polymerase alpha subunit A 0.0046 0.0112 0.1143
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0167 0.0499 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0086 0.0085
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0035 0.0658
Trichomonas vaginalis set domain proteins, putative 0.0231 0.0704 0.8022
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0026 0.0502
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.0874 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Schistosoma mansoni hypothetical protein 0.0048 0.012 0.012
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0167 0.0499 0.0498
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0167 0.0499 0.5639
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0034 0.0033
Echinococcus multilocularis dna polymerase kappa 0.004 0.0093 0.0092
Brugia malayi RNase H family protein 0.0022 0.0035 0.0073
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0081 0.008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0014 0.0011 0.0113
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0005
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0046 0.092
Trypanosoma cruzi Aminopeptidase M1, putative 0.0167 0.0499 1
Trypanosoma brucei ingi protein (ORF1) 0.0023 0.0041 0.0616
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0074 0.0203 0.2867
Loa Loa (eye worm) hypothetical protein 0.0044 0.0107 0.0106
Echinococcus granulosus ribonuclease H1 0.0022 0.0035 0.0033
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0041 0.062
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0046 0.0734
Brugia malayi Peptidase family M1 containing protein 0.0167 0.0499 0.1087
Loa Loa (eye worm) hypothetical protein 0.0074 0.0203 0.0201
Schistosoma mansoni cpg binding protein 0.0031 0.0066 0.0065
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0055 0.0054
Brugia malayi Pre-SET motif family protein 0.0203 0.0614 0.134
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0093 0.1839
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0092 0.009
Trypanosoma brucei RNA helicase, putative 0.0081 0.0225 0.4396
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0167 0.0499 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0167 0.0499 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0026 0.0024
Onchocerca volvulus DNA polymerase homolog 0.0015 0.0013 0.017
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0015 0.0013 0.0053
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0037 0.0279
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0056 0.1125
Schistosoma mansoni hypothetical protein 0.0015 0.0015 0.0014
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0167 0.0499 1
Toxoplasma gondii DNA polymerase family B protein 0.0015 0.0013 0.0264
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.002 0.0019
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0167 0.0499 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0026 0.0308
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0026 0.0474
Brugia malayi hypothetical protein 0.0021 0.0034 0.0071
Loa Loa (eye worm) hypothetical protein 0.0049 0.0121 0.012
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0031 0.0421
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.002
Onchocerca volvulus 0.0021 0.0034 0.0464
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0055 0.0054
Schistosoma mansoni hypothetical protein 0.0028 0.0056 0.0055
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0041 0.0781
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0093 0.1696
Schistosoma mansoni survival motor neuron protein 0.0048 0.012 0.012
Leishmania major ribonuclease H1, putative 0.0022 0.0035 0.0495
Trypanosoma brucei ingi protein (ORF1) 0.0023 0.0041 0.0616
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0115 0.0114
Onchocerca volvulus Ribonuclease H1 homolog 0.0022 0.0035 0.0477
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0073 0.1275
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0062 0.0163 0.0162
Leishmania major hypothetical protein, conserved 0.0015 0.0015 0.0083
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.006 0.1208
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0056 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0037 0.0079
Echinococcus granulosus dnaJ subfamily B 0.0398 0.1239 0.1238
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0026 0.0285
Echinococcus multilocularis aminopeptidase N 0.0167 0.0499 0.0497
Echinococcus multilocularis jun protein 0.0084 0.0235 0.0234
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0034 0.0668
Schistosoma mansoni hypothetical protein 0.0021 0.0034 0.0033
Onchocerca volvulus 0.003 0.006 0.084
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0086 0.0086
Onchocerca volvulus 0.0167 0.0499 0.7079
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0015 0.0013 0.0253
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0167 0.0499 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.0409 0.8113
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Schistosoma mansoni bromodomain containing protein 0.0065 0.0174 0.0173
Giardia lamblia Ribonuclease H 0.0022 0.0035 0.025
Echinococcus granulosus zinc finger protein 0.0021 0.0033 0.0032
Brugia malayi jmjC domain containing protein 0.0093 0.0262 0.057
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0062 0.0163 0.3124
Loa Loa (eye worm) hypothetical protein 0.0014 0.0011 0.0009
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0037 0.0746
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0026 0.0308
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0167 0.0499 0.0497
Echinococcus granulosus peregrin 0.0031 0.0064 0.0063
Echinococcus multilocularis peregrin 0.0031 0.0064 0.0063
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.0011 0.0172
Schistosoma mansoni hypothetical protein 0.0335 0.1036 0.1036
Leishmania major DNA polymerase kappa, putative 0.0021 0.0031 0.0421
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0349 0.0347
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0034 0.0033
Schistosoma mansoni aminopeptidase A (M01 family) 0.0167 0.0499 0.0498
Echinococcus multilocularis ribonuclease H1 0.0022 0.0035 0.0033
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0015 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0061
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0015 0.0014 0.0277
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.3137 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0037 0.0546
Schistosoma mansoni DNA polymerase eta 0.0014 0.0011 0.001
Brugia malayi jmjC domain containing protein 0.0038 0.0086 0.0186
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.0874 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.0037 0.0735
Onchocerca volvulus 0.0048 0.012 0.1695
Echinococcus multilocularis muscleblind protein 0.015 0.0445 0.0444
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0037 0.0036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0046 0.0045
Loa Loa (eye worm) hypothetical protein 0.0041 0.0096 0.0095
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0001 0.0001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Brugia malayi PHD-finger family protein 0.0013 0.0006 0.0011
Schistosoma mansoni phosphoglucomutase 0.0022 0.0035 0.0034
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0031 0.0515
Loa Loa (eye worm) hypothetical protein 0.0021 0.0034 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0017 0.0134
Brugia malayi hypothetical protein 0.1442 0.4579 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0034 0.0033
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0034 0.0033
Schistosoma mansoni hypothetical protein 0.0021 0.0032 0.0031
Schistosoma mansoni cpg binding protein 0.0031 0.0066 0.0065
Trypanosoma brucei Aminopeptidase M1, putative 0.0167 0.0499 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0093 0.1696
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0015 0.0013 0.0012
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0015 0.0013 0.0053
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0062 0.0163 0.0162
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0026 0.0377
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0167 0.0499 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.0409 0.5
Echinococcus multilocularis zinc finger protein 0.0021 0.0033 0.0032
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.0724 0.0723
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0002 0.0001
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0015 0.0013 0.0012
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0037 0.0279
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.006
Trypanosoma brucei Aminopeptidase M1, putative 0.0167 0.0499 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.0874 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0001 0.0001
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0022 0.0035 1
Schistosoma mansoni DNA helicase recq1 0.0022 0.0037 0.0037
Brugia malayi Bromodomain containing protein 0.0038 0.0088 0.019
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0062 0.0163 0.3124
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0015 0.0013 0.0012
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0037 0.0546
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0093 0.1839
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0037 0.0036
Loa Loa (eye worm) hypothetical protein 0.0082 0.0228 0.0226
Schistosoma mansoni hypothetical protein 0.0398 0.1239 0.1238
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0167 0.0499 0.0497
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0056 0.0055
Mycobacterium ulcerans aminopeptidase N PepN 0.0167 0.0499 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0046 0.092
Schistosoma mansoni zinc finger protein 0.0015 0.0015 0.0014
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0093 0.0931
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0167 0.0499 1
Schistosoma mansoni loxhd1 0.0021 0.0034 0.0033
Schistosoma mansoni ap endonuclease 0.0019 0.0026 0.0025
Brugia malayi Bromodomain containing protein 0.0031 0.0064 0.0137
Brugia malayi PHD-finger family protein 0.0027 0.0051 0.0108
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0237 0.0724 0.0723
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0093 0.1839
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0056 0.0055
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.006 0.0059
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0034 0.0033
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0062 0.0163 0.3242
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0001 0.0001
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0062 0.0163 0.3124
Echinococcus granulosus RUN 0.0021 0.0034 0.0033
Brugia malayi Bromodomain containing protein 0.0077 0.0211 0.0459
Schistosoma mansoni DNA helicase recq5 0.0022 0.0037 0.0037
Trichomonas vaginalis ribonuclease H1, putative 0.0022 0.0035 0.025
Echinococcus granulosus muscleblind protein 0.015 0.0445 0.0444
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0014 0.0011 0.001
Trypanosoma brucei ISWI complex protein 0.0015 0.0015 0.0083
Loa Loa (eye worm) hypothetical protein 0.0167 0.0499 0.0497
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0167 0.0499 0.0498
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0024 0.0041 0.062
Trypanosoma brucei unspecified product 0.0034 0.0073 0.1275

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.96 mg kg-1 Activity against the suppression of high base line self stimulation with electrodes in the medial forebrain of the posterior hypothalamus of male hooded rats (Peroral admin.) ChEMBL. 2866248
ED50 (functional) = 54 mg kg-1 The compound was tested (after peroral administration) for its ability to induce catalepsy in rats ChEMBL. 2866248
Inhibition (binding) = 91 % Ability to inhibit [3H]-haloperidol binding to dopamine receptor in rat striatal homogenate at a dose of 10E-8 M ChEMBL. 2866248
Inhibition (binding) = 91 % Ability to inhibit [3H]-haloperidol binding to dopamine receptor in rat striatal homogenate at a dose of 10E-8 M ChEMBL. 2866248
MED (functional) <= 10 mg kg-1 Antipsychotic activity using locomotor activity (LMA)-inverted screen test in mice (i.p. admin.) ChEMBL. 2866248
MED (functional) <= 10 mg kg-1 Antipsychotic activity using locomotor activity (LMA)-inverted screen test in mice (i.p. admin.) ChEMBL. 2866248

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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