Detailed information for compound 1440598

Basic information

Technical information
  • TDR Targets ID: 1440598
  • Name: [3-(2-fluorophenyl)-1-methylthieno[4,5-d]pyra zol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]m ethanone
  • MW: 438.493 | Formula: C23H20F2N4OS
  • H donors: 0 H acceptors: 2 LogP: 4.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1sc2c(c1)c(nn2C)c1ccccc1F)N1CCN(CC1)c1ccccc1F
  • InChi: 1S/C23H20F2N4OS/c1-27-23-16(21(26-27)15-6-2-3-7-17(15)24)14-20(31-23)22(30)29-12-10-28(11-13-29)19-9-5-4-8-18(19)25/h2-9,14H,10-13H2,1H3
  • InChiKey: XNRVXBGWLQOKSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
  • [3-(2-fluorophenyl)-1-methyl-5-thieno[4,5-d]pyrazolyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone
  • C498-0744
  • NCGC00108750-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0028 0.0299 0.0457
Echinococcus granulosus expressed protein 0.0372 0.864 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0093 0.1872 1
Brugia malayi TAR-binding protein 0.0076 0.1472 0.2251
Echinococcus granulosus peregrin 0.0029 0.0323 0.0374
Plasmodium falciparum plasmepsin VII 0.0017 0.0035 0.0169
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Toxoplasma gondii aspartyl protease 0.0017 0.0035 0.0093
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0085 0.0129
Brugia malayi hypothetical protein 0.0017 0.0035 0.0054
Echinococcus granulosus acetylcholinesterase 0.0266 0.6067 0.7022
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0081 0.0081
Leishmania major hexokinase, putative 0.0079 0.1543 0.8244
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0125
Onchocerca volvulus 0.0079 0.1543 0.2793
Plasmodium vivax aspartyl proteinase, putative 0.0017 0.0035 0.0169
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1926 0.2229
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.003 0.0343 0.1834
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0708 0.0708
Echinococcus granulosus histone deacetylase 6 0.004 0.0592 0.0685
Leishmania major hypothetical protein, conserved 0.0025 0.0227 0.1215
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0081 0.0081
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0085 0.0085
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0081 0.0125
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0054
Brugia malayi PHD-finger family protein 0.0029 0.0323 0.0494
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0081 0.0094
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0017 0.0035 0.0054
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0081 0.0081
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0227 0.1097
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0085 0.0452
Brugia malayi Eukaryotic aspartyl protease family protein 0.0017 0.0035 0.0054
Echinococcus granulosus traf and tnf receptor associated protein 0.0177 0.3911 0.4526
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0101 0.2073 1
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0081 0.0094
Echinococcus granulosus hexokinase type 2 0.0079 0.1543 0.1786
Leishmania major DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0081 0.0228
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0081 0.0081
Schistosoma mansoni histone deacetylase hda2 0.0046 0.0741 0.0741
Onchocerca volvulus 0.024 0.5435 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1073 0.1642
Schistosoma mansoni acetylcholinesterase 0.0045 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0266 0.6067 0.9281
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0471 0.0545
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.008 0.0092
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0081 0.0094
Brugia malayi jmjC domain containing protein 0.0095 0.1926 0.2946
Loa Loa (eye worm) acetylcholinesterase 1 0.0266 0.6067 0.9281
Schistosoma mansoni hexokinase 0.0079 0.1543 0.1543
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1472 0.1472
Plasmodium falciparum plasmepsin IX 0.0017 0.0035 0.0169
Plasmodium falciparum plasmepsin V 0.0017 0.0035 0.0169
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0227 0.1215
Echinococcus multilocularis hexokinase 0.0079 0.1543 0.1786
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0101 0.2073 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0085 0.0452
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Brugia malayi hypothetical protein 0.0025 0.0227 0.0348
Plasmodium falciparum histone deacetylase 2 0.004 0.0592 0.2854
Echinococcus granulosus dna polymerase kappa 0.0019 0.0085 0.0098
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0081 0.0094
Plasmodium vivax histone deacetylase 2, putative 0.004 0.0592 0.2854
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0081 0.0125
Echinococcus multilocularis BC026374 protein (S09 family) 0.0045 0.0708 0.0819
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0081 0.0228
Echinococcus multilocularis acetylcholinesterase 0.0266 0.6067 0.7022
Brugia malayi RNA binding protein 0.0076 0.1472 0.2251
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0085 0.0098
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0031 0.0365 0.195
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Loa Loa (eye worm) hypothetical protein 0.0054 0.0931 0.1425
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0081 0.0094
Plasmodium falciparum plasmepsin X 0.0017 0.0035 0.0169
Brugia malayi Hexokinase family protein 0.0079 0.1543 0.2361
Echinococcus granulosus neuroligin 0.0045 0.0708 0.0819
Plasmodium vivax aspartyl protease, putative 0.0017 0.0035 0.0169
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0061 0.109 0.288
Echinococcus multilocularis peregrin 0.0029 0.0323 0.0374
Schistosoma mansoni BC026374 protein (S09 family) 0.0045 0.0708 0.0708
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0323 0.0853
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1472 0.1472
Schistosoma mansoni hypothetical protein 0.0019 0.008 0.008
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0093 0.1872 0.2864
Leishmania major histone deacetylase, putative 0.004 0.0592 0.316
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0093 0.1872 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0045 0.0708 0.3301
Loa Loa (eye worm) hexokinase type II 0.0079 0.1543 0.2361
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0081 0.0125
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0081 0.0081
Loa Loa (eye worm) carboxylesterase 0.0045 0.0708 0.1083
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0085 0.0243
Trypanosoma brucei hexokinase 0.0079 0.1543 0.8244
Brugia malayi hypothetical protein 0.0016 0.0011 0.0018
Loa Loa (eye worm) aspartyl protease 6 0.0017 0.0035 0.0054
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0081 0.0125
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0093 0.1872 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0323 0.0494
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0471 0.0471
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0177 0.3911 0.5983
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0081 0.0228
Brugia malayi hexokinase type II 0.0025 0.023 0.0352
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1077 0.1647
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0081 0.0081
Brugia malayi Histone deacetylase family protein 0.004 0.0592 0.0905
Plasmodium falciparum plasmepsin VIII, putative 0.0017 0.0035 0.0169
Toxoplasma gondii histone deacetylase HDAC1 0.004 0.0592 0.1563
Onchocerca volvulus 0.0151 0.327 0.5991
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0085 0.0452
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0125
Echinococcus granulosus histone deacetylase 0.004 0.0592 0.0685
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0125
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0081 0.0094
Plasmodium vivax hexokinase, putative 0.0079 0.1543 0.7446
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0081 0.0125
Schistosoma mansoni neuroligin 3 (S09 family) 0.0045 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Brugia malayi jmjC domain containing protein 0.0035 0.0471 0.0721
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0101 0.2073 1
Loa Loa (eye worm) carboxylesterase 0.0266 0.6067 0.9281
Echinococcus multilocularis neuroligin 0.0045 0.0708 0.0819
Brugia malayi Carboxylesterase family protein 0.0266 0.6067 0.9281
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6537 0.7566
Giardia lamblia PHD finger protein 15 0.0029 0.0323 0.1198
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0085 0.0243
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0081 0.0081
Brugia malayi Bromodomain containing protein 0.0029 0.0323 0.0494
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.1872 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1077 0.1647
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0081 0.0081
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0081 0.0094
Mycobacterium ulcerans carboxylesterase, LipT 0.0045 0.0708 0.3486
Loa Loa (eye worm) hexokinase 0.0079 0.1543 0.2361
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0017 0.0035 0.0093
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0101 0.2073 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.008 0.0092
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0081 0.0125
Echinococcus granulosus jumonji domain containing protein 0.004 0.0599 0.0693
Echinococcus granulosus carboxylesterase 5A 0.0266 0.6067 0.7022
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0125
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0085 0.0085
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0081 0.0081
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1472 0.2251
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0081 0.0081
Echinococcus granulosus hexokinase 0.0079 0.1543 0.1786
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0227 0.1097
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1472 0.1472
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0085 0.0098
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0081 0.0094
Onchocerca volvulus 0.0045 0.0708 0.1246
Plasmodium vivax plasmepsin IV, putative 0.0017 0.0035 0.0169
Onchocerca volvulus 0.0045 0.0708 0.1246
Schistosoma mansoni hypothetical protein 0.0029 0.0323 0.0323
Entamoeba histolytica hexokinase 2 0.0079 0.1543 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0081 0.0094
Brugia malayi Hexokinase family protein 0.0025 0.0214 0.0327
Plasmodium vivax plasmepsin V, putative 0.0017 0.0035 0.0169
Plasmodium falciparum plasmepsin II 0.0017 0.0035 0.0169
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0471 0.0545
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.0708 1
Brugia malayi Hexokinase family protein 0.005 0.0826 0.1263
Schistosoma mansoni hypothetical protein 0.0019 0.008 0.008
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0081 0.0094
Schistosoma mansoni DNA polymerase eta 0.0019 0.0085 0.0085
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0227 0.1097
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0101 0.2073 0.5476
Echinococcus multilocularis histone deacetylase 7 0.004 0.0592 0.0685
Loa Loa (eye worm) carboxylesterase 0.0045 0.0708 0.1083
Mycobacterium tuberculosis Carboxylesterase LipT 0.0045 0.0708 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.008 0.0092
Plasmodium falciparum plasmepsin I 0.0017 0.0035 0.0169
Leishmania major DNA polymerase eta, putative 0.0019 0.0085 0.0452
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0227 0.0601
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3111 0.4759
Loa Loa (eye worm) hypothetical protein 0.0025 0.023 0.0352
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0093 0.1872 0.1872
Onchocerca volvulus 0.005 0.0826 0.1464
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0081 0.0081
Plasmodium vivax aspartyl protease, putative 0.0017 0.0035 0.0169
Onchocerca volvulus 0.0058 0.1029 0.1841
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0125
Onchocerca volvulus Alhambra homolog 0.0029 0.0323 0.0533
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.0708 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0093 0.1872 0.2167
Brugia malayi PXA domain containing protein 0.0019 0.0081 0.0125
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0615 0.0941
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0085 0.0098
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0093 0.1872 0.2167
Echinococcus multilocularis carboxylesterase 5A 0.0266 0.6067 0.7022
Brugia malayi Pax transcription factor protein 2 0.024 0.5435 0.8315
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0054
Trypanosoma brucei histone deacetylase 3 0.004 0.0592 0.316
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0323 0.0494
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1472 0.2251
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0017 0.0035 0.0093
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0081 0.0094
Toxoplasma gondii aspartyl protease ASP1 0.0017 0.0035 0.0093
Trypanosoma cruzi histone deacetylase, putative 0.004 0.0592 0.316
Echinococcus granulosus acetylcholinesterase 0.0266 0.6067 0.7022
Echinococcus granulosus tar DNA binding protein 0.0076 0.1472 0.1703
Brugia malayi Carboxylesterase family protein 0.0045 0.0708 0.1083
Plasmodium falciparum phd finger protein, putative 0.0029 0.0323 0.1557
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.1872 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1926 0.2229
Onchocerca volvulus Hexokinase homolog 0.005 0.0826 0.1464
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0081 0.0228
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0085 0.1195
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0323 0.0374
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Echinococcus multilocularis histone deacetylase 6 0.004 0.0592 0.0685
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0175 0.3846 0.5884
Echinococcus multilocularis dna polymerase eta 0.0019 0.0085 0.0098
Brugia malayi aspartic protease BmAsp-1, identical 0.0017 0.0035 0.0054
Toxoplasma gondii hexokinase 0.0079 0.1543 0.4077
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0323 0.0374
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0599 0.0693
Echinococcus multilocularis acetylcholinesterase 0.0266 0.6067 0.7022
Echinococcus granulosus hexokinase 0.0079 0.1543 0.1786
Brugia malayi hexokinase 0.0079 0.1543 0.2361
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0081 0.0094
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0081 0.0125
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0054
Brugia malayi Carboxylesterase family protein 0.0045 0.0708 0.1083
Brugia malayi hypothetical protein 0.0286 0.6537 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0323 0.0323
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0035 0.0035
Loa Loa (eye worm) RNA binding protein 0.0076 0.1472 0.2251
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0227 0.1215
Trypanosoma cruzi hexokinase, putative 0.0079 0.1543 0.8244
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.008 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Schistosoma mansoni jumonji domain containing protein 0.0076 0.1452 0.1452
Onchocerca volvulus 0.0079 0.1543 0.2793
Plasmodium vivax aspartyl proteinase, putative 0.0017 0.0035 0.0169
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0101 0.2073 1
Brugia malayi hypothetical protein 0.0019 0.0081 0.0125
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0081 0.0228
Echinococcus granulosus geminin 0.0169 0.3714 0.4298
Schistosoma mansoni gliotactin 0.0045 0.0708 0.0708
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0017 0.0035 0.0041
Brugia malayi hypothetical protein 0.0019 0.0081 0.0125
Schistosoma mansoni hypothetical protein 0.0019 0.008 0.008
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0093 0.1872 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0041 0.0615 0.0941
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0085 0.0129
Entamoeba histolytica hexokinase 1 0.0079 0.1543 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0081 0.0094
Loa Loa (eye worm) histone deacetylase 7A 0.004 0.0592 0.0905
Echinococcus multilocularis histone deacetylase 0.004 0.0592 0.0685
Brugia malayi Carboxylesterase family protein 0.0045 0.0708 0.1083
Plasmodium vivax aspartyl protease, putative 0.0017 0.0035 0.0169
Echinococcus granulosus hexokinase 0.0079 0.1543 0.1786
Onchocerca volvulus 0.0045 0.0708 0.1246
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0061 0.109 0.5626
Plasmodium falciparum hexokinase 0.0079 0.1543 0.7446
Trypanosoma brucei unspecified product 0.0019 0.0085 0.0452
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0085 0.0129
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0471 0.0471
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0101 0.2073 1
Onchocerca volvulus 0.0045 0.0708 0.1246
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Plasmodium falciparum plasmepsin III 0.0017 0.0035 0.0169
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0085 0.0452
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1472 0.1472
Loa Loa (eye worm) hexokinase 0.0025 0.0214 0.0327
Brugia malayi MH2 domain containing protein 0.0144 0.3111 0.4759
Schistosoma mansoni hypothetical protein 0.0019 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0266 0.6067 0.9281
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0081 0.0094
Brugia malayi Pepsin A precursor 0.0017 0.0035 0.0054
Plasmodium vivax histone deacetylase, putative 0.004 0.0592 0.2854
Schistosoma mansoni histone deacetylase 4 5 0.004 0.0592 0.0592
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0025 0.0227 0.0348
Loa Loa (eye worm) hypothetical protein 0.0286 0.6537 1
Loa Loa (eye worm) hexokinase 0.0079 0.1543 0.2361
Loa Loa (eye worm) hypothetical protein 0.0034 0.0448 0.0685
Brugia malayi glucose-6-phosphate dehydrogenase 0.0093 0.1872 0.2864
Echinococcus multilocularis traf and tnf receptor associated protein 0.0177 0.3911 0.4526
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Loa Loa (eye worm) hypothetical protein 0.0025 0.023 0.0352
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0035 0.0035
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0471 0.0721
Echinococcus multilocularis hexokinase 0.0079 0.1543 0.1786
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.1083
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0266 0.6067 0.6067
Schistosoma mansoni hypothetical protein 0.0169 0.3714 0.3714
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Echinococcus multilocularis para nitrobenzyl esterase 0.0045 0.0708 0.0819
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0045 0.0708 0.0819
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1472 0.1703
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1029 0.1575
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1472 0.1472
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0081 0.0094
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0129
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0122
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0045 0.0708 0.3301
Trypanosoma brucei hexokinase 0.0079 0.1543 0.8244
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.008 0.0092
Trypanosoma cruzi hexokinase, putative 0.0079 0.1543 0.8244
Echinococcus multilocularis hexokinase 0.0079 0.1543 0.1786
Echinococcus multilocularis geminin 0.0169 0.3714 0.4298
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0081 0.0228
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0081 0.0228
Echinococcus granulosus histone deacetylase 6 0.0046 0.0741 0.0857
Echinococcus granulosus BC026374 protein S09 family 0.0045 0.0708 0.0819
Brugia malayi hypothetical protein 0.0151 0.327 0.5003
Echinococcus granulosus para nitrobenzyl esterase 0.0045 0.0708 0.0819
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3111 0.4759
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0323 0.0853
Schistosoma mansoni hypothetical protein 0.0058 0.1029 0.1029
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0125
Leishmania major hexokinase, putative 0.0079 0.1543 0.8244
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0085 0.0021
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0081 0.0094
Brugia malayi aspartic protease BmAsp-2, identical 0.0017 0.0035 0.0054
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1472 0.2251
Leishmania major histone deacetylase, putative 0.004 0.0592 0.316
Plasmodium falciparum plasmepsin IV 0.0017 0.0035 0.0169
Echinococcus multilocularis hexokinase type 2 0.0079 0.1543 0.1786
Brugia malayi Histone deacetylase family protein 0.004 0.0592 0.0905
Trypanosoma cruzi histone deacetylase, putative 0.004 0.0592 0.316
Brugia malayi hypothetical protein 0.0045 0.0708 0.1083
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6537 0.7566
Brugia malayi PXA domain containing protein 0.0019 0.0081 0.0125
Trypanosoma brucei histone deacetylase, putative 0.004 0.0592 0.316
Schistosoma mansoni hypothetical protein 0.0041 0.0615 0.0615
Echinococcus granulosus histone deacetylase 6 0.004 0.0592 0.0685
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0085 0.1195
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0017 0.0035 0.0054
Trypanosoma cruzi histone deacetylase, putative 0.004 0.0592 0.316
Loa Loa (eye worm) hexokinase 0.005 0.0826 0.1263
Plasmodium falciparum histone deacetylase, putative 0.004 0.0592 0.2854
Loa Loa (eye worm) hypothetical protein 0.0151 0.327 0.5003
Echinococcus granulosus dna polymerase eta 0.0019 0.0085 0.0098
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0085 0.0452
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0227 0.1215
Trypanosoma brucei histone deacetylase 4 0.004 0.0592 0.316
Loa Loa (eye worm) histone deacetylase 0.004 0.0592 0.0905
Toxoplasma gondii aspartyl protease ASP3 0.0017 0.0035 0.0093
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0081 0.0125
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0172 0.3785 1
Onchocerca volvulus 0.0045 0.0708 0.1246
Onchocerca volvulus 0.0079 0.1543 0.2793
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0035 0.0035
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0081 0.0081
Trypanosoma brucei hexokinase, putative 0.0079 0.1543 0.8244
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0017 0.0035 0.0041
Schistosoma mansoni survival motor neuron protein 0.0058 0.1029 0.1029
Brugia malayi Latrophilin receptor protein 2 0.0019 0.008 0.0122
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0081 0.0094
Echinococcus multilocularis histone deacetylase 6 0.004 0.0592 0.0685
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0323 0.1557
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0081 0.0125
Echinococcus granulosus GPCR family 2 0.0019 0.008 0.0092
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0085 0.0452
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1077 0.1647
Echinococcus multilocularis histone deacetylase 6 0.0046 0.0741 0.0857
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0708 0.0708
Schistosoma mansoni hypothetical protein 0.0169 0.3714 0.3714
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Brugia malayi hypothetical protein 0.0017 0.0035 0.0054
Loa Loa (eye worm) pax transcription factor protein 2 0.024 0.5435 0.8315
Schistosoma mansoni histone deacetylase 4 5 0.004 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.005 0.0826 0.1264
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0032 0.04 0.5651
Echinococcus multilocularis expressed protein 0.0372 0.864 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0081 0.0125
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0081 0.0081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.008 0.0122
Plasmodium falciparum plasmepsin VI 0.0017 0.0035 0.0169
Brugia malayi Carboxylesterase family protein 0.0266 0.6067 0.9281
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.0452
Echinococcus granulosus histone deacetylase 7 0.004 0.0592 0.0685
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.008 0.0092
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1077 0.1647
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0081 0.0094
Brugia malayi Carboxylesterase family protein 0.0045 0.0708 0.1083
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0045 0.0708 0.0819
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0081 0.0125
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0081 0.0094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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