Detailed information for compound 867840

Basic information

Technical information
  • TDR Targets ID: 867840
  • Name: ethyl 4-(tert-butylcarbamoyl)-3,5-dimethyl-1H -pyrrole-2-carboxylate
  • MW: 266.336 | Formula: C14H22N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1[nH]c(c(c1C)C(=O)NC(C)(C)C)C
  • InChi: 1S/C14H22N2O3/c1-7-19-13(18)11-8(2)10(9(3)15-11)12(17)16-14(4,5)6/h15H,7H2,1-6H3,(H,16,17)
  • InChiKey: ZGWPKLVYTMVKAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(tert-butylamino)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
  • 4-(tert-butylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
  • MLS000094344
  • SMR000029934
  • ethyl 4-[(tert-butylamino)carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum conserved hypothetical 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
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic 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
Schistosoma mansoni 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Neospora caninum hypothetical protein 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Schistosoma mansoni ap endonuclease 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
Plasmodium yoelii putative AP endonuclease-related 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
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
Echinococcus granulosus dna polymerase kappa 0.0084 0.0236 0.1057
Echinococcus granulosus intermediate filament protein 0.0029 0.0051 0.0223
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0031 0.039
Trypanosoma brucei unspecified product 0.0071 0.0191 0.5264
Onchocerca volvulus 0.0061 0.016 0.071
Brugia malayi hypothetical protein 0.0437 0.1411 0.7009
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.016 0.0641
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0428 0.138 0.6864
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.016 0.0641
Brugia malayi O-methyltransferase family protein 0.0313 0.0998 0.4948
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0155 0.069
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0069 0.1418
Schistosoma mansoni lozenge 0.0055 0.0138 0.0542
Schistosoma mansoni o-methyltransferase 0.0313 0.0998 0.4443
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0018 0.0075
Echinococcus multilocularis musashi 0.0029 0.0051 0.0223
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0018 0.0075
Schistosoma mansoni lamin 0.0029 0.0051 0.0149
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.003 0.0055 0.0271
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.0342 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.0236 0.6604
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0051 0.0256
Loa Loa (eye worm) runx1 0.0055 0.0138 0.0687
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.006 1
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0018 0.0075
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0031 0.0132
Leishmania major ATP-dependent phosphofructokinase 0.0116 0.0342 1
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0018 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.0168 0.4536
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.006 0.4205
Leishmania major DNA polymerase eta, putative 0.003 0.0055 0.0753
Mycobacterium ulcerans DNA polymerase IV 0.0084 0.0236 0.0206
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0313 0.0998 1
Echinococcus multilocularis regulator of G protein signaling 7 0.003 0.0054 0.0236
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0083 0.0295
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0342 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.006 0.0927
Echinococcus multilocularis Protein lozenge 0.0055 0.0138 0.0614
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.006 0.0266
Loa Loa (eye worm) hypothetical protein 0.0437 0.1411 0.7019
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0155 0.069
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.003 0.0055 0.0237
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0083 0.0368
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.01 0.2205
Echinococcus granulosus lamin 0.0029 0.0051 0.0223
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0031 0.0081
Echinococcus granulosus regulator of G protein signaling 7 0.003 0.0054 0.0236
Brugia malayi 6-phosphofructokinase 0.0116 0.0342 0.1674
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.016 0.0641
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0018 0.0092
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0031 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0069 0.1418
Brugia malayi Pre-SET motif family protein 0.0428 0.138 0.6853
Schistosoma mansoni intermediate filament proteins 0.0029 0.0051 0.0149
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.01 0.2384
Brugia malayi polk-prov protein 0.0064 0.0168 0.0805
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0116 0.0342 1
Trypanosoma brucei DNA polymerase IV, putative 0.0084 0.0236 0.6682
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.0342 1
Schistosoma mansoni ap endonuclease 0.0023 0.0031 0.0057
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0018 0.0075
Brugia malayi N-terminal motif family protein 0.0218 0.0681 0.3367
Loa Loa (eye worm) hypothetical protein 0.003 0.0055 0.0271
Brugia malayi PXA domain containing protein 0.0019 0.0018 0.0058
Loa Loa (eye worm) hypothetical protein 0.0064 0.0168 0.0837
Brugia malayi hypothetical protein 0.0019 0.0018 0.0058
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.006 0.2241
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0155 0.9631
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0092
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0051 0.0222
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0342 0.1468
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.006 0.2241
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0018 0.0058
Brugia malayi O-methyltransferase 0.0313 0.0998 0.4948
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0155 0.0172
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0092
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0018 0.0075
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0155 0.3984
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0018 0.0075
Trichomonas vaginalis set domain proteins, putative 0.0487 0.1576 1
Trypanosoma brucei DNA polymerase IV, putative 0.0071 0.0191 0.5264
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0155 0.0619
Brugia malayi Pre-SET motif family protein 0.0061 0.016 0.0763
Trypanosoma brucei DNA polymerase eta, putative 0.003 0.0055 0.0966
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.003 0.0054 0.027
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.006 0.0266
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0031 0.0121
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0342 0.1702
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0018 0.0092
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.0236 0.6604
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.006 0.2241
Echinococcus multilocularis lamin dm0 0.0029 0.0051 0.0223
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0155 0.0619
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.006 0.0266
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.006 0.5
Schistosoma mansoni regulator of G protein signaling 0.003 0.0054 0.0162
Schistosoma mansoni lamin 0.0029 0.0051 0.0149
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0342 0.1468
Plasmodium vivax SET domain protein, putative 0.0061 0.016 1
Schistosoma mansoni ap endonuclease 0.0023 0.0031 0.0057
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0152 0.0677
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0018 0.0075
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.0055 0.0238
Mycobacterium tuberculosis Probable methyltransferase 0.0313 0.0998 0.1114
Leishmania major DNA polymerase kappa, putative 0.0043 0.01 0.2205
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0342 0.2077
Echinococcus multilocularis expressed protein 0.0368 0.1182 0.5313
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.006 0.0266
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0051 0.0256
Echinococcus multilocularis dna polymerase kappa 0.0084 0.0236 0.1057
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.006 0.1281
Brugia malayi phosphofructokinase 0.0116 0.0342 0.1674
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0681 0.4131
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0155 0.0124
Brugia malayi hypothetical protein 0.0038 0.0083 0.0382
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0018 0.0058
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0018 0.0075
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.006 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0018 0.0092
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Entamoeba histolytica hypothetical protein 0.0038 0.0083 0.2008
Schistosoma mansoni DNA polymerase eta 0.003 0.0055 0.0164
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.016 0.0711
Trypanosoma brucei DNA polymerase IV, putative 0.0084 0.0236 0.6682
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0031 0.0081
Echinococcus multilocularis lamin 0.0029 0.0051 0.0223
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0116 0.0342 0.0381
Giardia lamblia DINP protein human, muc B family 0.0043 0.01 1
Echinococcus granulosus lamin dm0 0.0029 0.0051 0.0223
Onchocerca volvulus 0.0313 0.0998 0.6207
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.0168 0.4536
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0092
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.01 0.0111
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0092
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0342 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0018 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0342 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0313 0.0998 1
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0018 0.0075
Schistosoma mansoni o-methyltransferase 0.0313 0.0998 0.4443
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.006 0.2241
Brugia malayi 6-phosphofructokinase 0.0116 0.0342 0.1674
Schistosoma mansoni z-protein (S1r protein) 0.003 0.0054 0.0162
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.2703 0.8957 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.0236 0.6604
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0342 0.2077
Brugia malayi O-methyltransferase family protein 0.0313 0.0998 0.4948
Echinococcus multilocularis 6 phosphofructokinase 0.0116 0.0342 0.1532
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.003 0.0055 0.0237
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0018 0.0058
Loa Loa (eye worm) hypothetical protein 0.003 0.0054 0.027
Schistosoma mansoni o-methyltransferase 0.0313 0.0998 0.4443
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0092
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0018 0.0075
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0342 0.2077
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0083 0.0368
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.0236 0.6604
Brugia malayi regulator of G-protein signaling egl-10 0.003 0.0054 0.0236
Loa Loa (eye worm) hypothetical protein 0.0029 0.0051 0.0256
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.006 0.2241
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.006 0.0266
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0069 0.1418
Loa Loa (eye worm) hypothetical protein 0.0617 0.201 1
Entamoeba histolytica hypothetical protein 0.0038 0.0083 0.2008
Entamoeba histolytica deoxycytidyl transferase, putative 0.003 0.0055 0.1114
Schistosoma mansoni hypothetical protein 0.0038 0.0083 0.0295
Brugia malayi intermediate filament protein 0.0029 0.0051 0.0222
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0018 0.0058
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0018 0.0075
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0031 0.0155
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.016 0.0711
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0023 0.0031 0.0021
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0031 0.0132
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0007 0.0034
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0342 0.1702
Brugia malayi hypothetical protein 0.0019 0.0018 0.0058
Echinococcus multilocularis regulator of G protein signaling 7 0.003 0.0054 0.0236
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.0055 0.0238
Mycobacterium ulcerans methyltransferase 0.0313 0.0998 0.097
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0031 0.023
Schistosoma mansoni o-methyltransferase 0.0313 0.0998 0.4443
Echinococcus granulosus regulator of G protein signaling 7 0.003 0.0054 0.0236
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.006 0.0266
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0018 0.0075
Loa Loa (eye worm) hypothetical protein 0.0437 0.1411 0.7019
Loa Loa (eye worm) hypothetical protein 0.0313 0.0998 0.4965
Mycobacterium ulcerans DNA polymerase IV 0.0084 0.0236 0.0206
Echinococcus granulosus 6 phosphofructokinase 0.0116 0.0342 0.1532
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.006 0.0266
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.003 0.0055 0.0164
Loa Loa (eye worm) hypothetical protein 0.0061 0.016 0.0795
Loa Loa (eye worm) O-methyltransferase 0.0313 0.0998 0.4965
Echinococcus multilocularis microtubule associated protein 2 0.0681 0.2223 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0681 0.339
Onchocerca volvulus 0.0313 0.0998 0.6207
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.016 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0116 0.0342 0.0312
Trichomonas vaginalis DNA polymerase eta, putative 0.0084 0.0236 0.1399
Schistosoma mansoni terminal deoxycytidyl transferase 0.003 0.0055 0.0164
Echinococcus granulosus dna polymerase eta 0.003 0.0055 0.0237
Brugia malayi O-methyltransferase family protein 0.0313 0.0998 0.4948
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.016 0.0641
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0247
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0155 0.0124
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0018 0.0075
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0084 0.0236 0.1399
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0342 0.2077
Brugia malayi small heat shock protein 0.0617 0.201 1
Loa Loa (eye worm) phosphofructokinase 0.0116 0.0342 0.1702
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.016 0.0711
Echinococcus granulosus expressed protein 0.0368 0.1182 0.5313
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0018 0.0092
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0055 0.006
Entamoeba histolytica hypothetical protein 0.0038 0.0083 0.2008
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.006 1
Onchocerca volvulus 0.0437 0.1411 0.8915
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0155 0.0124
Brugia malayi PXA domain containing protein 0.0019 0.0018 0.0058
Echinococcus multilocularis dna polymerase eta 0.003 0.0055 0.0237
Entamoeba histolytica hypothetical protein 0.0038 0.0083 0.2008
Onchocerca volvulus 0.0487 0.1576 1
Echinococcus granulosus microtubule associated protein 2 0.0681 0.2223 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0018 0.0058
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.0055 0.0753
Schistosoma mansoni microtubule-associated protein tau 0.0681 0.2223 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0236 0.6682

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.

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