Detailed information for compound 1234926

Basic information

Technical information
  • TDR Targets ID: 1234926
  • Name: 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3- (4-phenylpiperazin-1-yl)propyl]-4-phenylchrom en-2-one
  • MW: 604.692 | Formula: C37H36N2O6
  • H donors: 0 H acceptors: 2 LogP: 5.74 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(c1c(OC)cc(c2c1oc(=O)cc2c1ccccc1)OC)CC(=O)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C37H36N2O6/c1-42-28-16-14-26(15-17-28)29(22-33(40)39-20-18-38(19-21-39)27-12-8-5-9-13-27)35-31(43-2)24-32(44-3)36-30(23-34(41)45-37(35)36)25-10-6-4-7-11-25/h4-17,23-24,29H,18-22H2,1-3H3
  • InChiKey: LFPYTQQOSOZDJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-chromen-2-one
  • 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-phenyl-2-chromenone
  • 8-[3-keto-1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-4-phenyl-coumarin
  • MLS000879472
  • SMR000465529

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 lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
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 mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Leishmania donovani 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Theileria parva hypothetical 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
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum hypothetical protein 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
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Cryptosporidium parvum conserved hypothetical protein 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Toxoplasma gondii exonuclease III APE 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
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0023 0.0007
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0053 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0318 0.7469
Loa Loa (eye worm) jmjC domain-containing protein 0.0074 0.0368 0.8663
Mycobacterium ulcerans hypothetical protein 0.0192 0.1083 0.134
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.003 0.0097
Echinococcus granulosus phd:f box containing protein 0.0019 0.003 0.0097
Entamoeba histolytica hypothetical protein 0.0036 0.0134 1
Schistosoma mansoni hypothetical protein 0.0016 0.001 0.0019
Schistosoma mansoni cpg binding protein 0.006 0.0278 0.1053
Schistosoma mansoni jumonji domain containing protein 0.0019 0.003 0.0097
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.001 0.0005
Schistosoma mansoni ferritin 0.0017 0.0019 0.0054
Brugia malayi jmjC domain containing protein 0.0019 0.003 0.0488
Echinococcus multilocularis lamin dm0 0.0083 0.0423 0.0418
Schistosoma mansoni ferritin light chain 0.0017 0.0019 0.0054
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0227 0.1065
Echinococcus multilocularis dna polymerase kappa 0.002 0.0038 0.0033
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0059 0.0053
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0038 0.0037
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0045 0.0187 0.4288
Echinococcus granulosus lamin dm0 0.0083 0.0423 0.1613
Echinococcus multilocularis dna polymerase eta 0.002 0.0038 0.0033
Loa Loa (eye worm) hypothetical protein 0.0024 0.0059 0.1188
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0053 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0318 0.1209
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0038 0.0037
Onchocerca volvulus 0.0083 0.0423 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0038 0.0179
Schistosoma mansoni hypothetical protein 0.0441 0.2594 1
Echinococcus granulosus dna polymerase eta 0.002 0.0038 0.0126
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0027 0.0416
Schistosoma mansoni hypothetical protein 0.0034 0.0121 0.0445
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0216 0.4975
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0059 0.1188
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0023 0.0005
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0053 1
Onchocerca volvulus 0.006 0.0278 0.6011
Mycobacterium tuberculosis Chorismate mutase 0.0472 0.2781 0.3481
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0038 0.0126
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0027 0.0022
Toxoplasma gondii hypothetical protein 0.0059 0.0273 0.424
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.003 0.0488
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0347 0.0342
Schistosoma mansoni protein phosphatase 2C 0.0019 0.003 0.0097
Schistosoma mansoni phd/f-box containing protein 0.0019 0.003 0.0097
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0038 0.0126
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1083 0.1342
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Mycobacterium ulcerans hypothetical protein 0.0024 0.0059 0.005
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0059 0.005
Brugia malayi TAR-binding protein 0.0066 0.0318 0.7469
Schistosoma mansoni intermediate filament proteins 0.0083 0.0423 0.1613
Loa Loa (eye worm) hypothetical protein 0.0049 0.0216 0.4975
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0134 0.0496
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0053 0.1043
Echinococcus multilocularis phd:f box containing protein 0.0019 0.003 0.0025
Onchocerca volvulus 0.0083 0.0423 1
Brugia malayi cytoplasmic intermediate filament protein 0.0045 0.0187 0.4288
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0368 0.14
Schistosoma mansoni cpg binding protein 0.0063 0.0298 0.1132
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0295 0.126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0216 0.4975
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0038 0.552
Echinococcus granulosus GPCR family 2 0.0016 0.001 0.0019
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0059 0.2216
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0227 0.0935
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0964 0.4523
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0023 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.001 0.0019
Echinococcus granulosus lysine specific demethylase 5A 0.0074 0.0368 0.14
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0306
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0038 0.0179
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0059 0.0138
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.003 0.0025
Schistosoma mansoni hypothetical protein 0.0016 0.001 0.0019
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0053 0.0185
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0083 0.0423 1
Brugia malayi hypothetical protein 0.0036 0.0134 0.2995
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0306
Echinococcus multilocularis lamin 0.0083 0.0423 0.0418
Toxoplasma gondii exonuclease III APE 0.0023 0.0053 0.0401
Loa Loa (eye worm) hypothetical protein 0.0039 0.0151 0.3409
Loa Loa (eye worm) hypothetical protein 0.0082 0.0413 0.9775
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.003 0.0025
Echinococcus multilocularis ferritin 0.0017 0.0019 0.0014
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0038 0.0674
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.0019 0.0003
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0038 0.0179
Mycobacterium leprae Conserved hypothetical protein 0.1323 0.7956 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0368 0.14
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0059 0.005
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0038 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0318 0.1209
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.0019 0.0003
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0059 0.005
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0038 0.0037
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.003 0.0097
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0121 0.2672
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0038 0.0027
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2132 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0127 0.0684 0.2623
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0318 0.7469
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0038 0.0037
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0038 0.552
Mycobacterium ulcerans hypothetical protein 0.1323 0.7956 1
Brugia malayi jmjC domain containing protein 0.0019 0.003 0.0488
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0038 0.0674
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0038 0.0033
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.003 0.0097
Schistosoma mansoni ferritin 0.0017 0.0019 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.0488
Schistosoma mansoni lamin 0.0083 0.0423 0.1613
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.3635
Brugia malayi CXXC zinc finger family protein 0.006 0.0278 0.6485
Echinococcus granulosus dna polymerase kappa 0.002 0.0038 0.0126
Loa Loa (eye worm) hypothetical protein 0.0039 0.0151 0.3409
Echinococcus granulosus lamin 0.0083 0.0423 0.1613
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.003 0.0097
Brugia malayi jmjC domain containing protein 0.0019 0.003 0.0488
Toxoplasma gondii histone lysine methyltransferase SET1 0.0113 0.0602 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.003 0.0143
Schistosoma mansoni cpg binding protein 0.0063 0.0298 0.1132
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0053 0.0109
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0053 1
Entamoeba histolytica hypothetical protein 0.0036 0.0134 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0038 0.0674
Loa Loa (eye worm) hypothetical protein 0.0024 0.0059 0.1188
Echinococcus multilocularis cpg binding protein 0.0063 0.0298 0.0293
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0053 0.0048
Leishmania major DNA polymerase eta, putative 0.002 0.0038 0.0037
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0053 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0053 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0318 0.1209
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0053 0.0109
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0059 0.1188
Schistosoma mansoni ferritin 0.0017 0.0019 0.0054
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0059 0.2216
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0026 0.0381
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0038 0.0024
Schistosoma mansoni apoferritin-2 0.0017 0.0019 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.0488
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0059 0.2216
Echinococcus granulosus tar DNA binding protein 0.0066 0.0318 0.1209
Echinococcus multilocularis dnaJ subfamily B 0.0441 0.2594 0.259
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0347 0.132
Mycobacterium ulcerans chorismate mutase 0.0472 0.2781 0.3479
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0059 0.005
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.003 0.2467
Entamoeba histolytica hypothetical protein 0.0036 0.0134 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0059 0.005
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0318 0.0313
Mycobacterium tuberculosis Chorismate mutase 0.1323 0.7956 1
Schistosoma mansoni ap endonuclease 0.0023 0.0053 0.0185
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Entamoeba histolytica hypothetical protein 0.0036 0.0134 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Loa Loa (eye worm) hypothetical protein 0.0083 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0038 0.0674
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0306
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.003 0.0488
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0347 0.132
Echinococcus granulosus cytoplasmic intermediate filament protein 0.004 0.016 0.0598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0216 0.4975
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0964 0.4444
Echinococcus granulosus ferritin 0.0017 0.0019 0.0054
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0022 0.0051 0.0177
Brugia malayi intermediate filament protein 0.0083 0.0423 1
Loa Loa (eye worm) intermediate filament protein 0.0083 0.0423 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0059 0.1188
Brugia malayi jmjC domain containing protein 0.0071 0.0347 0.8162
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0059 0.005
Brugia malayi jmjC domain containing protein 0.0074 0.0368 0.8663
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.003 0.0097
Schistosoma mansoni hypothetical protein 0.0036 0.0134 0.0496
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0306
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.003 0.0025
Brugia malayi RNA binding protein 0.0066 0.0318 0.7469
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.001 0.0005
Brugia malayi Intermediate filament tail domain containing protein 0.0083 0.0423 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.004 0.016 0.0155
Schistosoma mansoni ferritin 0.0017 0.0019 0.0054
Echinococcus multilocularis expressed protein 0.0017 0.0019 0.0014
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0053 0.0109
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0053 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0318 0.1209
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0059 0.0138
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0027 0.0085
Schistosoma mansoni ap endonuclease 0.0023 0.0053 0.0185
Plasmodium vivax JmjC domain containing protein 0.0019 0.003 0.2467
Schistosoma mansoni ferritin light chain 0.0017 0.0019 0.0054
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0022 0.0051 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0318 0.1209
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0059 0.005
Trypanosoma brucei unspecified product 0.002 0.0038 0.0179
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.003 0.0488
Echinococcus multilocularis musashi 0.0083 0.0423 0.0418
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2132 1
Echinococcus granulosus dnaJ subfamily B 0.0441 0.2594 1
Echinococcus granulosus intermediate filament protein 0.0083 0.0423 0.1613
Schistosoma mansoni apoferritin-2 0.0017 0.0019 0.0054
Loa Loa (eye worm) hypothetical protein 0.0034 0.0121 0.2672
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Loa Loa (eye worm) hypothetical protein 0.0024 0.0059 0.1188
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.001 0.0019
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0038 0.0126
Echinococcus granulosus cpg binding protein 0.0063 0.0298 0.1132
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0059 0.005
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2132 1
Brugia malayi jmjC domain containing protein 0.0019 0.003 0.0488
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0038 0.0179
Loa Loa (eye worm) RNA binding protein 0.0066 0.0318 0.7469
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Loa Loa (eye worm) CXXC zinc finger family protein 0.006 0.0278 0.6485
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0347 0.0342
Schistosoma mansoni DNA polymerase eta 0.002 0.0038 0.0126
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0053 0.1043
Echinococcus granulosus expressed protein 0.0017 0.0019 0.0054
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0059 0.0053
Echinococcus multilocularis GPCR, family 2 0.0016 0.001 0.0005
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0053 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0038 0.0027
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2132 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0053 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0134 0.0129
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0059 0.005
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0227 0.0935
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0059 0.0138
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0038 0.0024
Leishmania major DNA polymerase kappa, putative 0.002 0.0038 0.0037
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0134 0.0496
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0053 0.025
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0318 0.7469
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0038 0.0179
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0053 0.1591
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0038 0.0037
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0227 0.0935
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0306
Schistosoma mansoni hypothetical protein 0.0016 0.001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.0488
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0964 0.4444
Schistosoma mansoni lamin 0.0083 0.0423 0.1613

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1853 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) 2.9362 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) = 5.6234 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) [Related pubchem assays: 1705 (qHTS Validation Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) ), 2324 (Probe Development Summary of Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)), 1707 (Counterscreen for APE1 Inhibitors: Fluorescent Dye Displacement Validation Assay), 2517 (qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)), 1708 (Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV)] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.