Detailed information for compound 1404752

Basic information

Technical information
  • TDR Targets ID: 1404752
  • Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-fluo robenzoate chloride
  • MW: 324.735 | Formula: C15H14ClFN2O3
  • H donors: 1 H acceptors: 3 LogP: 2.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)OCCNC(=O)c1cccnc1.Cl
  • InChi: 1S/C15H13FN2O3.ClH/c16-13-5-3-11(4-6-13)15(20)21-9-8-18-14(19)12-2-1-7-17-10-12;/h1-7,10H,8-9H2,(H,18,19);1H
  • InChiKey: IXRLHQYGJQWAEM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-fluorobenzoic acid 2-[[oxo-(3-pyridin-1-iumyl)methyl]amino]ethyl ester chloride
  • 4-fluorobenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester chloride
  • 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-fluorobenzoate chloride
  • 2-(pyridine-3-carbonylamino)ethyl 4-fluorobenzoate hydrochloride
  • 4-fluorobenzoic acid 2-[[oxo-(3-pyridyl)methyl]amino]ethyl ester hydrochloride
  • 4-fluorobenzoic acid 2-nicotinamidoethyl ester hydrochloride
  • 2-(pyridin-3-ylcarbonylamino)ethyl 4-fluorobenzoate hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tar DNA binding protein 0.0124 0.0885 0.0888
Brugia malayi AMP-binding enzyme family protein 0.0046 0.016 0.0158
Onchocerca volvulus 0.0035 0.0052 0.0244
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0078 0.0087
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0078 0.0026
Echinococcus multilocularis muscleblind protein 1 0.0591 0.5244 0.5284
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0052 0.01
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.0442 0.0426
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.002 0.0016
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0714 0.6385 0.6417
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0062 0.0059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.001 0.0007
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0052 0.0048
Trichomonas vaginalis set domain proteins, putative 0.0241 0.1979 0.1937
Brugia malayi Isocitrate dehydrogenase 0.0031 0.002 0.0016
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.005 0.0095
Echinococcus granulosus geminin 0.0673 0.6001 0.6049
Mycobacterium ulcerans beta-lactamase 0.0035 0.0052 0.0002
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0078 0.0074
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0112 0.0109
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.0047
Echinococcus granulosus peregrin 0.003 0.0004 0.0004
Trypanosoma brucei beta lactamase 0.0063 0.0315 0.0299
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0442 0.0426
Loa Loa (eye worm) latrophilin receptor protein 2 0.0078 0.0454 0.0454
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.016 0.0111
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.032 0.0322
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0033 0.004
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.002 0.0016
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.001 0.0007
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0078 0.0074
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.0047
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0004 0.0004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0052 0.0049
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0836 0.0839
Brugia malayi glucose-6-phosphate dehydrogenase 0.1093 0.9922 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.016 0.0111
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0078 0.0454 0.0454
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.016 0.4101
Brugia malayi Muscleblind-like protein 0.0591 0.5244 0.5284
Brugia malayi jmjC domain containing protein 0.0036 0.0062 0.0059
Mycobacterium ulcerans hypothetical protein 0.0035 0.0052 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0885 0.0888
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0885 0.0888
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.0442 0.0438
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.1093 0.9922 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0069 0.0366 0.0362
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0052 0.0048
Brugia malayi AMP-binding enzyme family protein 0.0046 0.016 0.0158
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.01 0.0656 0.2054
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.002 0.0016
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.016 0.4101
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.016 0.0368
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.016 0.0433
Entamoeba histolytica hypothetical protein 0.0069 0.0366 0.1067
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0052 0.0049
Toxoplasma gondii ABC1 family protein 0.0035 0.0052 0.0048
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0836 0.0839
Loa Loa (eye worm) hypothetical protein 0.006 0.029 0.0289
Toxoplasma gondii NAC domain-containing protein 0.0069 0.0366 0.0362
Loa Loa (eye worm) RNA binding protein 0.0124 0.0885 0.0888
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0033 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0366 0.0315
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.002 0.0016
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.002 0.0016
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0078 0.0058
Loa Loa (eye worm) hypothetical protein 0.0168 0.1298 0.1305
Mycobacterium ulcerans lipase LipD 0.0035 0.0052 0.0002
Schistosoma mansoni hypothetical protein 0.0035 0.0052 0.0048
Brugia malayi hypothetical protein 0.0035 0.0052 0.0048
Brugia malayi RNA binding protein 0.0124 0.0885 0.0888
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0366 0.035
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0131 0.0953 0.0914
Schistosoma mansoni hypothetical protein 0.0078 0.0454 0.0454
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.002 0.0016
Brugia malayi beta-lactamase 0.0035 0.0052 0.0049
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.016 0.0142
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0078 0.0074
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.1093 0.9922 1
Brugia malayi Pre-SET motif family protein 0.0212 0.1705 0.1716
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.016 0.0111
Loa Loa (eye worm) hypothetical protein 0.003 0.001 0.0007
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.002 0.0016
Leishmania major hypothetical protein, conserved 0.0035 0.0052 0.0033
Mycobacterium ulcerans hypothetical protein 0.0046 0.016 0.0111
Schistosoma mansoni hypothetical protein 0.0168 0.1298 0.1305
Mycobacterium tuberculosis Conserved protein 0.0035 0.0052 0.01
Mycobacterium ulcerans lipoprotein LpqF 0.0063 0.0315 0.0268
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0078 0.0454 0.0458
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.016 0.0111
Schistosoma mansoni transient receptor potential channel 0.0096 0.0624 0.0625
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0078 0.0454 0.0458
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0078 0.0454 0.0454
Giardia lamblia DNA repair protein RAD52 0.035 0.2994 0.2992
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.006 0.0057
Loa Loa (eye worm) hypothetical protein 0.0591 0.5244 0.5284
Entamoeba histolytica hypothetical protein 0.01 0.0656 0.2054
Onchocerca volvulus 0.0046 0.016 0.0791
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0062 0.0059
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0049
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0246 0.2026 0.2039
Loa Loa (eye worm) TAR-binding protein 0.0124 0.0885 0.0888
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.016 0.0433
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.1093 0.9922 1
Schistosoma mansoni ap endonuclease 0.0038 0.0078 0.0074
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.1093 0.9922 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0885 0.0888
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0049
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0078 0.0058
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0441
Echinococcus granulosus transcription factor btf3 0.0069 0.0366 0.0369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0589 0.059
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0078 0.0027
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0366 0.035
Loa Loa (eye worm) hypothetical protein 0.0051 0.0202 0.02
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0078 0.0078
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.0885 0.0888
Onchocerca volvulus 0.0241 0.1979 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0112 0.0113
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0052 0.0049
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0589 0.059
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0078 0.0074
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0033 0.004
Leishmania major hypothetical protein, conserved 0.0077 0.0442 0.0426
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.002 0.0016
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.016 0.0142
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0078 0.0058
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0052 0.01
Echinococcus granulosus transient receptor potential gamma protein 0.0096 0.0624 0.0628
Loa Loa (eye worm) beta-lactamase 0.0035 0.0052 0.0049
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0047 0.0044
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0052 0.0048
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0131 0.0953 0.2877
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0063 0.0315 1
Schistosoma mansoni hypothetical protein 0.0673 0.6001 0.6047
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0052 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0052 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0589 0.059
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0442 0.0438
Schistosoma mansoni hypothetical protein 0.0673 0.6001 0.6047
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0049
Mycobacterium tuberculosis Conserved protein 0.0035 0.0052 0.01
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.001 0.0011
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0634 0.0636
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0589 0.059
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0062 0.0063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1806 0.5507
Brugia malayi hypothetical protein 0.0077 0.0442 0.0441
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.002 0.0016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0589 0.059
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0246 0.2026 0.2039
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0046 0.016 0.0158
Toxoplasma gondii exonuclease III APE 0.0038 0.0078 0.0074
Brugia malayi AMP-binding enzyme family protein 0.0046 0.016 0.0158
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0885 0.0888
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0052 0.0002
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0062 0.0059
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0052 0.0049
Echinococcus multilocularis transient receptor potential ion channel A 0.0093 0.0594 0.0595
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0033 0.004
Plasmodium vivax SET domain protein, putative 0.003 0.001 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.001 0.0007
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.005 0.0047
Schistosoma mansoni transient receptor potential channel 4 0.0096 0.0624 0.0625
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.1093 0.9922 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.016 0.0368
Brugia malayi MH2 domain containing protein 0.0119 0.0836 0.0839
Echinococcus multilocularis transient receptor potential gamma protein 0.0096 0.0624 0.0625
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.1093 0.9922 1
Entamoeba histolytica transcription factor BTF3, putative 0.0069 0.0366 0.1067
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0049
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0078 0.0058
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0634 0.0639
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.1093 0.9922 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.016 0.0111
Echinococcus multilocularis transcription factor btf3 0.0069 0.0366 0.0365
Brugia malayi beta-NAC-like protein 0.0069 0.0366 0.0365
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0052 0.0033
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0379 0.3263 1
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.032 0.0322
Echinococcus granulosus transient receptor potential ion channel A 0.0093 0.0594 0.0598
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0885 0.0888
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.002 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0366 0.0315
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0078 0.0454 0.0454
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0589 0.0594
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0078 0.0178
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0078 0.5
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.1093 0.9922 1
Schistosoma mansoni transient receptor potential channel 0.0064 0.032 0.0319
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0052 0.01
Brugia malayi hypothetical protein 0.0049 0.0188 0.0186
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0442 0.0438
Brugia malayi isocitrate dehydrogenase 0.0031 0.002 0.0016
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0078 0.0074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.001 0.0007
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0047 0.0048
Loa Loa (eye worm) hypothetical protein 0.0036 0.006 0.0057
Schistosoma mansoni hypothetical protein 0.0078 0.0454 0.0454
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0448 0.0448
Loa Loa (eye worm) ICD-1 protein 0.0069 0.0366 0.0365
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.1093 0.9922 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.003 0.0027
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.0047
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0299 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0366 0.0315
Brugia malayi beta-lactamase family protein 0.0035 0.0052 0.0049
Brugia malayi jmjC domain containing protein 0.0097 0.0634 0.0636
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.032 0.0319
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0052 0.0033
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0063 0.0315 0.0911
Loa Loa (eye worm) hypothetical protein 0.0046 0.016 0.0158
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0049
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0049
Schistosoma mansoni hypothetical protein 0.0034 0.0047 0.0044
Loa Loa (eye worm) hypothetical protein 0.0591 0.5244 0.5284
Schistosoma mansoni hypothetical protein 0.0078 0.0454 0.0454
Echinococcus multilocularis GPCR, family 2 0.0078 0.0454 0.0454
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0352 0.3007 0.3017
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0362 0.3105 0.3116
Trypanosoma brucei transcription factor BTF3, putative 0.0069 0.0366 0.035
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0052 0.0049
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.0885 0.0888
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0589 0.059
Echinococcus multilocularis geminin 0.0673 0.6001 0.6047
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.016 0.0142
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.005 0.0047
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0052 0.01
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0052 0.01
Loa Loa (eye worm) hypothetical protein 0.0078 0.0454 0.0454
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0246 0.2026 0.2039
Brugia malayi Latrophilin receptor protein 2 0.0078 0.0454 0.0454
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.001 0.0007
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.035 0.2994 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.016 0.0111
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0052 0.01
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.0047
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0442 0.0426
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.016 0.0111
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0078 0.0026
Onchocerca volvulus 0.0035 0.0052 0.0244
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.016 0.0158
Brugia malayi beta-lactamase family protein 0.0035 0.0052 0.0049
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.002 0.0016
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.001 0.0007
Echinococcus multilocularis muscleblind protein 0.0591 0.5244 0.5284
Plasmodium vivax basic transcription factor 3b, putative 0.0069 0.0366 0.0362
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.006 0.0061
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0078 0.0074
Brugia malayi latrophilin 2 splice variant baaae 0.0168 0.1298 0.1305
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.016 0.0368
Schistosoma mansoni transcription factor btf3 0.0069 0.0366 0.0365
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.0442 0.0438
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.1093 0.9922 1
Schistosoma mansoni ap endonuclease 0.0038 0.0078 0.0074
Echinococcus granulosus muscleblind protein 0.0591 0.5244 0.5286
Brugia malayi Calcitonin receptor-like protein seb-1 0.0246 0.2026 0.2039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0589 0.059
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0052 0.0053
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0052 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.001 0.0007
Echinococcus granulosus GPCR family 2 0.0078 0.0454 0.0458
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0062 0.0059
Onchocerca volvulus 0.0035 0.0052 0.0244
Brugia malayi Pre-SET motif family protein 0.003 0.001 0.0007
Echinococcus granulosus tar DNA binding protein 0.0124 0.0885 0.0892
Onchocerca volvulus 0.003 0.001 0.0034
Loa Loa (eye worm) hypothetical protein 0.0096 0.0624 0.0625
Mycobacterium tuberculosis Conserved protein 0.0035 0.0052 0.01
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0589 0.0594
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.1705 0.1716
Leishmania major basic transcription factor 3a, putative 0.0069 0.0366 0.035
Brugia malayi TAR-binding protein 0.0124 0.0885 0.0888
Schistosoma mansoni hypothetical protein 0.0078 0.0454 0.0454
Schistosoma mansoni transient receptor potential channel 0.0064 0.032 0.0319
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0714 0.6385 0.6384
Brugia malayi Transient-receptor-potential like protein 0.0036 0.006 0.0057
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.032 0.0319

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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