Detailed information for compound 1275199

Basic information

Technical information
  • TDR Targets ID: 1275199
  • Name: 2-[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazo l-3-yl]pyridine
  • MW: 331.167 | Formula: C14H11BrN4O
  • H donors: 1 H acceptors: 3 LogP: 2.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)OCc1n[nH]c(n1)c1ccccn1
  • InChi: 1S/C14H11BrN4O/c15-10-4-6-11(7-5-10)20-9-13-17-14(19-18-13)12-3-1-2-8-16-12/h1-8H,9H2,(H,17,18,19)
  • InChiKey: PGBIOSQIULJKPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ST5112681
  • MLS000568887
  • ZINC00505388
  • ZINC08048408
  • SMR000154782

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
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 japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) TAR-binding 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
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Trypanosoma brucei unspecified product 0.0059 0.0498 0.3052
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.016 0.1911 0.1911
Echinococcus granulosus polycomb protein SCMH1 0.005 0.037 0.037
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Schistosoma mansoni lipoxygenase 0.01 0.1061 0.1061
Schistosoma mansoni tar DNA-binding protein 0.013 0.1485 0.1485
Echinococcus granulosus dna polymerase kappa 0.0059 0.0498 0.0498
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0171 0.0821
Loa Loa (eye worm) hypothetical protein 0.016 0.1911 0.5996
Echinococcus granulosus transcription factor btf3 0.0037 0.0182 0.0182
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0182 0.049
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0105 0.1138 0.2128
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.051 0.1599
Leishmania major DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0783 0.4859
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.024 0.1418
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2082 0.5007
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0059 0.0498 0.3052
Echinococcus multilocularis geminin 0.0738 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.037 0.037
Leishmania major DNA polymerase eta, putative 0.0138 0.1595 1
Treponema pallidum hypothetical protein 0.0289 0.372 0.7862
Schistosoma mansoni peptidase Clp (S14 family) 0.016 0.1911 0.1911
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0289 0.372 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0425 0.0425
Loa Loa (eye worm) RNA binding protein 0.013 0.1485 0.4658
Brugia malayi Probable ClpP-like protease 0.016 0.1911 0.5996
Echinococcus granulosus tar DNA binding protein 0.013 0.1485 0.1485
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.037 0.037
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0289 0.372 1
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0313 0.0313
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.016 0.1911 0.5139
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3674 0.7884
Schistosoma mansoni tar DNA-binding protein 0.013 0.1485 0.1485
Loa Loa (eye worm) TAR-binding protein 0.013 0.1485 0.4658
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.0498 0.3052
Trypanosoma cruzi DNA polymerase eta, putative 0.0138 0.1595 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0001 0.0001
Echinococcus multilocularis tar DNA binding protein 0.013 0.1485 0.1485
Schistosoma mansoni tar DNA-binding protein 0.013 0.1485 0.1485
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4612 1
Echinococcus multilocularis dna polymerase kappa 0.0059 0.0498 0.0498
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0467 0.0467
Brugia malayi Bromodomain containing protein 0.0041 0.0235 0.0737
Toxoplasma gondii hypothetical protein 0.0055 0.044 0.2237
Onchocerca volvulus 0.005 0.037 0.1007
Brugia malayi Pre-SET motif family protein 0.0036 0.0171 0.0538
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0001 0.0001
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.02 0.02
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.0498 0.3052
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Loa Loa (eye worm) hypothetical protein 0.0043 0.0271 0.0851
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0182 0.1053
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3188 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0345 0.1084
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0345 0.1084
Schistosoma mansoni DNA polymerase eta 0.0138 0.1595 0.1595
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0182 0.0571
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0171 0.0171
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0553 0.0553
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.2439 0.2439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0171 0.0171
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0467 0.0467
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0345 0.0345
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0289 0.372 1
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0289 0.372 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0783 0.0783
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.037 0.1007
Loa Loa (eye worm) MBCTL1 0.0057 0.0467 0.1466
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1662 0.1662
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0097 0.1022 0.5307
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0783 0.2457
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2082 0.4917
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0313 0.0313
Brugia malayi RNA binding protein 0.013 0.1485 0.4658
Schistosoma mansoni sex comb on midleg homolog 0.005 0.037 0.037
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.016 0.1911 0.1911
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0783 0.4859
Onchocerca volvulus 0.0286 0.3674 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.016 0.1911 0.4487
Schistosoma mansoni hypothetical protein 0.0738 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0783 0.2457
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.3527
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4612 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.4387
Brugia malayi TAR-binding protein 0.013 0.1485 0.4658
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0059 0.0498 0.1562
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0182 0.1053
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.0498 0.3052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0467 0.1466
Schistosoma mansoni terminal deoxycytidyl transferase 0.0059 0.0498 0.0498
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0345 0.0345
Schistosoma mansoni hypothetical protein 0.0305 0.3944 0.3944
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0345 0.0345
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Brugia malayi hypothetical protein 0.0025 0.0016 0.005
Schistosoma mansoni tar DNA-binding protein 0.013 0.1485 0.1485
Schistosoma mansoni hypothetical protein 0.0738 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4612 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Loa Loa (eye worm) hypothetical protein 0.005 0.037 0.1161
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0016 0.0043
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4612 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.0606 0.0606
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0783 0.0783
Leishmania major basic transcription factor 3a, putative 0.0037 0.0182 0.1053
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0783 0.0783
Trypanosoma brucei unspecified product 0.0041 0.024 0.1418
Schistosoma mansoni tar DNA-binding protein 0.013 0.1485 0.1485
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.1911 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.051 0.1599
Brugia malayi Pre-SET motif family protein 0.0251 0.3188 1
Loa Loa (eye worm) hypothetical protein 0.006 0.051 0.1599
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0105 0.1138 0.1138
Trypanosoma brucei DNA polymerase eta, putative 0.0138 0.1595 1
Brugia malayi mbt repeat family protein 0.005 0.037 0.1161
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0153 0.0153
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.024 0.1418
Loa Loa (eye worm) hypothetical protein 0.0041 0.0243 0.0762
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0016 0.0043
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0182 0.1053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0425 0.0425
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0059 0.0498 0.0498
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.024 0.1418
Brugia malayi ImpB/MucB/SamB family protein 0.0059 0.0498 0.1562
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.1911 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0425 0.1332
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Schistosoma mansoni sex comb on midleg homolog 0.005 0.037 0.037
Leishmania major DNA polymerase eta, putative 0.0097 0.1022 0.637
Brugia malayi mbt repeat family protein 0.005 0.037 0.1161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0345 0.0345
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.2439 0.2439
Brugia malayi ImpB/MucB/SamB family protein 0.0138 0.1595 0.5004
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0783 0.4859
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0001 0.0001
Echinococcus multilocularis transcription factor btf3 0.0037 0.0182 0.0182
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.02 0.02
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Loa Loa (eye worm) mbt repeat family protein 0.005 0.037 0.1161
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Entamoeba histolytica deoxycytidyl transferase, putative 0.0059 0.0498 0.0713
Loa Loa (eye worm) hypothetical protein 0.0057 0.0467 0.1466
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Trypanosoma brucei unspecified product 0.0041 0.024 0.1418
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Schistosoma mansoni transcription factor btf3 0.0037 0.0182 0.0182
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.4387
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0553 0.0553
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0345 0.0345
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0783 0.4859
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0059 0.0498 0.0498
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0467 0.0467
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0783 0.1357
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.037 0.037
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.5139
Brugia malayi PHD-finger family protein 0.0026 0.0036 0.0114
Schistosoma mansoni lipoxygenase 0.0142 0.1662 0.1662
Plasmodium vivax SET domain protein, putative 0.0036 0.0171 0.0461
Echinococcus multilocularis dna polymerase eta 0.0138 0.1595 0.1595
Brugia malayi RNA recognition motif domain containing protein 0.013 0.1485 0.4658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0016 0.0043
Trichomonas vaginalis DNA polymerase eta, putative 0.0059 0.0498 0.0713
Onchocerca volvulus 0.0036 0.0171 0.0467
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.051 0.1599
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0289 0.372 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0425 0.0425
Echinococcus granulosus dna polymerase eta 0.0138 0.1595 0.1595
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0243 0.0762
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.037 0.037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0075 0.0716 0.2247
Trypanosoma cruzi DNA polymerase eta, putative 0.0097 0.1022 0.637
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0059 0.0498 0.0498
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.5
Brugia malayi beta-NAC-like protein 0.0037 0.0182 0.0571
Echinococcus granulosus peptidase Clp S14 family 0.0105 0.1138 0.1138
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0055 0.044 0.1183
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0467 0.0467
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.1485 0.4658
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0055 0.044 0.1183
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0182 0.0877
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0059 0.0498 0.0713
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0105 0.1138 0.1987
Brugia malayi Bromodomain containing protein 0.0079 0.078 0.2446
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.1911 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0236 0.074
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0345 0.0345
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4612 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0467 0.0467
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1662 0.1662
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Loa Loa (eye worm) hypothetical protein 0.0045 0.03 0.094
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0171 0.0171
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2082 0.4917
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0498 0.3052
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0182 0.049
Loa Loa (eye worm) hypothetical protein 0.0138 0.1595 0.5004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0425 0.0425
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0105 0.1138 0.1987
Schistosoma mansoni hypothetical protein 0.0041 0.0243 0.0243

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 3.9716 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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