Detailed information for compound 1454608

Basic information

Technical information
  • TDR Targets ID: 1454608
  • Name: N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl ]acetamide
  • MW: 336.381 | Formula: C16H17FN2O3S
  • H donors: 2 H acceptors: 3 LogP: 2.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)F
  • InChi: 1S/C16H17FN2O3S/c1-12(20)19-15-6-8-16(9-7-15)23(21,22)18-11-10-13-2-4-14(17)5-3-13/h2-9,18H,10-11H2,1H3,(H,19,20)
  • InChiKey: CULCWMFXGVTNIP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]ethanamide
  • MLS000565710
  • SMR000152805
  • ZINC00303420
  • STK080855

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Bromodomain containing protein 0.0086 0.0272 0.0272
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0042 0.0042
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.2789 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0483 0.0484
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0011 0.0011
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.0144 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0326 0.1139 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0093 0.0299 0.0299
Leishmania major cytochrome p450-like protein 0.0013 0.0011 0.0385
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0046 0.0046
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0144 0.0145
Leishmania major DNA polymerase eta, putative 0.005 0.0144 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0092 0.0297 0.0297
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0092 0.0297 0.0297
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0042 0.2641
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0013 0.0011 0.0385
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0326 0.1139 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0042 0.0042
Echinococcus granulosus zinc finger protein 0.0024 0.005 0.005
Schistosoma mansoni DNA polymerase eta 0.005 0.0144 0.0144
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0193 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.0211 0.0211
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0092 0.0297 0.0297
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0046 0.0038
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0046 0.0338
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0844 0.3001 0.3006
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0042 0.0595
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0036 0.0036
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0046 0.7705
Brugia malayi CXXC zinc finger family protein 0.0032 0.008 0.008
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0059 0.2837
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0159 0.0538 0.5013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0109 0.0109
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0144 0.0464
Entamoeba histolytica hypothetical protein 0.0026 0.0059 0.015
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0042 0.0042
Brugia malayi Cytochrome P450 family protein 0.0013 0.0011 0.0011
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0046 0.0137
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0093 0.0299 0.0299
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0096 0.0301
Brugia malayi Bromodomain containing protein 0.0043 0.0118 0.0118
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0033 0.0033
Trypanosoma brucei unspecified product 0.0015 0.0018 0.0911
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0059 0.3821
Mycobacterium leprae conserved hypothetical protein 0.0026 0.0059 0.0906
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0042 0.0123
Loa Loa (eye worm) glutaminase 0.0305 0.1063 0.1064
Echinococcus multilocularis expressed protein 0.0037 0.0099 0.0099
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0042 0.0298
Loa Loa (eye worm) hypothetical protein 0.0079 0.0249 0.0249
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Brugia malayi hypothetical protein 0.0169 0.0572 0.0572
Schistosoma mansoni cpg binding protein 0.0036 0.0094 0.0094
Schistosoma mansoni protein kinase 0.2789 1 1
Trichomonas vaginalis rotamase, putative 0.0036 0.0096 0.0488
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0159 0.0538 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0093 0.0299 0.0299
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0159 0.0538 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.2785 0.9985 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0096 0.0301
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0033 0.0033
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0091 0.457
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.0211 0.0211
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0059 1
Schistosoma mansoni ap endonuclease 0.0023 0.0046 0.0046
Schistosoma mansoni cpg binding protein 0.0032 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.084 0.2986 0.2991
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Echinococcus granulosus cytochrome P450 2K1 0.0013 0.0011 0.0011
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0844 0.3001 1
Schistosoma mansoni protein kinase 0.2789 1 1
Leishmania major cytochrome p450-like protein 0.0013 0.0011 0.0385
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.2789 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0209 0.0209
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0011 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0059 0.0112
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0.0011 0.0385
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0018 0.0911
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0059 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0042 0.0123
Schistosoma mansoni zinc finger protein 0.0024 0.005 0.005
Schistosoma mansoni cytochrome P450 0.0013 0.0011 0.0011
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0036 0.0036
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0092 0.0297 0.0297
Schistosoma mansoni hypothetical protein 0.0013 0.0011 0.0011
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0042 0.2641
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0042 0.0595
Trichomonas vaginalis glutaminase, putative 0.0305 0.1063 0.9307
Trypanosoma cruzi ISWI complex protein 0.0017 0.0026 0.0069
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0096 0.6488
Leishmania major hypothetical protein, conserved 0.0017 0.0026 0.1486
Echinococcus multilocularis 0.0013 0.0011 0.0011
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0046 0.0038
Brugia malayi cytochrome P450 0.0013 0.0011 0.0011
Loa Loa (eye worm) glutaminase 2 0.0305 0.1063 0.1064
Schistosoma mansoni hypothetical protein 0.0457 0.1607 0.1607
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Giardia lamblia Fructose-bisphosphate aldolase 0.0326 0.1139 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0094 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Treponema pallidum fructose-bisphosphate aldolase 0.0326 0.1139 1
Schistosoma mansoni hypothetical protein 0.0092 0.0297 0.0297
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0099 0.0517
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0046 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Echinococcus multilocularis zinc finger protein 0.0024 0.005 0.005
Schistosoma mansoni ap endonuclease 0.0023 0.0046 0.0046
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0483 0.0484
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0059 0.2837
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.0099 0.0099
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0011 0.0018
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0092 0.0297 0.0297
Schistosoma mansoni glutaminase 0.0305 0.1063 0.1063
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0109 0.0109
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0042 0.0042
Trypanosoma brucei unspecified product 0.0022 0.0042 0.2641
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0059 0.0454
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0033 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0018 0.0911
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0046 0.0137
Echinococcus granulosus dnaJ subfamily B 0.0457 0.1607 0.1607
Brugia malayi PHD-finger family protein 0.003 0.0071 0.0071
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0059 0.0454
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0042 0.0042
Trypanosoma brucei ISWI complex protein 0.0017 0.0026 0.1486
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0046 0.2944
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0042 0.0042
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.0096 0.6488
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0093 0.0299 0.0299
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0059 0.0906
Schistosoma mansoni rotamase 0.0037 0.0099 0.0099
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0042 0.2641
Trypanosoma brucei unspecified product 0.0015 0.0018 0.0911
Trichomonas vaginalis rotamase, putative 0.0037 0.0099 0.0517
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0094 0.0094
Echinococcus multilocularis dnaJ subfamily B 0.0457 0.1607 0.1607
Echinococcus multilocularis cpg binding protein 0.0036 0.0094 0.0094
Schistosoma mansoni bromodomain containing protein 0.0072 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0169 0.0572 0.0572
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0059 1
Brugia malayi Cytochrome P450 family protein 0.0013 0.0011 0.0011
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0096 0.4817
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Brugia malayi glutaminase DH11.1 0.0305 0.1063 0.1063
Schistosoma mansoni cpg binding protein 0.0036 0.0094 0.0094
Toxoplasma gondii exonuclease III APE 0.0023 0.0046 0.2186
Loa Loa (eye worm) hypothetical protein 0.0045 0.0128 0.0128
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0036 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0036 0.0036
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0011 0.0385
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Loa Loa (eye worm) hypothetical protein 0.0092 0.0297 0.0298
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0059 0.3821
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0046 0.0046
Brugia malayi Cytochrome P450 family protein 0.0013 0.0011 0.0011
Trypanosoma cruzi ISWI complex protein 0.0017 0.0026 0.0069
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0036
Echinococcus multilocularis dna polymerase eta 0.005 0.0144 0.0144
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0046 0.0675
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0046 0.2944
Loa Loa (eye worm) cytochrome P450 0.0013 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0043 0.0119 0.0119
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0033 0.0033
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0062 0.0062
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0046 0.0046
Echinococcus granulosus cpg binding protein 0.0036 0.0094 0.0094
Echinococcus granulosus dna polymerase kappa 0.0022 0.0042 0.0042
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0042 0.0298
Brugia malayi MH2 domain containing protein 0.0144 0.0483 0.0483
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0059 0.5
Schistosoma mansoni apoptosis regulator bax 0.0092 0.0297 0.0297
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0046 0.0038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0026
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0062 0.0062
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0011 0.0018
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0042 0.0123
Mycobacterium ulcerans glutaminase 0.0305 0.1063 1
Loa Loa (eye worm) apoptosis regulator protein 0.0092 0.0297 0.0298
Leishmania major DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0042 0.0042
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0144 0.0144
Onchocerca volvulus 0.0169 0.0572 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0042 0.2641
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.0099 0.0099
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0011 0.0018
Toxoplasma gondii cytochrome p450 superfamily protein 0.0013 0.0011 0.0286
Schistosoma mansoni hypothetical protein 0.0023 0.0048 0.0048
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0062 0.0062
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0092 0.0297 0.0297
Echinococcus granulosus dna polymerase eta 0.005 0.0144 0.0144
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0092 0.0297 0.0297
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0018 0.0911
Leishmania major cytochrome p450-like protein 0.0013 0.0011 0.0385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0326 0.1139 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0.0011 0.0018
Leishmania major DNA polymerase eta, putative 0.0035 0.0091 0.6155
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0011 0.0011
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0091 0.0286
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0844 0.3001 1
Schistosoma mansoni hypothetical protein 0.0092 0.0297 0.0297
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0036 0.0036
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0008 0.0008
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0046 0.0046
Echinococcus granulosus expressed protein 0.0037 0.0099 0.0099
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.008 0.008
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0042 0.2641
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0096 0.0488
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0042 0.0123
Loa Loa (eye worm) hypothetical protein 0.0049 0.0143 0.0143
Schistosoma mansoni zinc finger protein 0.0017 0.0026 0.0026
Onchocerca volvulus 0.0093 0.0299 0.4447
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0048 0.0048

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.0794 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0928 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.