Detailed information for compound 1459562

Basic information

Technical information
  • TDR Targets ID: 1459562
  • Name: 1-(4-phenylphenyl)-2-(3-thiophen-2-yl-5,6-dih ydroimidazo[2,3-b][1,3]thiazol-7-ium-7-yl)eth anone bromide
  • MW: 483.444 | Formula: C23H19BrN2OS2
  • H donors: 0 H acceptors: 1 LogP: 6.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)c1ccccc1)CN1CC[n+]2c1scc2c1cccs1.[Br-]
  • InChi: 1S/C23H19N2OS2.BrH/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)15-24-12-13-25-20(16-28-23(24)25)22-7-4-14-27-22;/h1-11,14,16H,12-13,15H2;1H/q+1;/p-1
  • InChiKey: LZJUYKOKJXBBGO-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-phenylphenyl)-2-[3-(2-thienyl)-5,6-dihydroimidazo[2,3-b]thiazol-7-ium-7-yl]ethanone bromide
  • 7-[2-(4-biphenylyl)-2-oxoethyl]-3-(2-thienyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
  • MLS000681413
  • SMR000267808

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0678 0.0677
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0043 0.0363 0.053
Echinococcus granulosus transient receptor potential cation channel 0.0671 0.6279 0.6279
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0129 0.1169 0.1646
Schistosoma mansoni apoferritin-2 0.001 0.0054 0.0053
Echinococcus granulosus fatty acid amide hydrolase 1 0.0129 0.1169 0.1169
Plasmodium vivax PST-A protein 0.0043 0.0363 0.053
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0043 0.0363 0.053
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0172 0.1461
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0043 0.0363 0.053
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0005 0.0001 0.0001
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Trypanosoma cruzi serine peptidase, putative 0.0043 0.0363 0.053
Brugia malayi MGC79044 protein 0.0043 0.0363 0.0363
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0043 0.0363 0.053
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0678 0.0678
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0043 0.0363 0.0363
Trypanosoma cruzi serine peptidase, putative 0.0043 0.0363 0.053
Echinococcus granulosus tar DNA binding protein 0.0076 0.0678 0.0678
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0678 0.0677
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0172 0.025
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0043 0.0363 0.053
Brugia malayi Lipase family protein 0.0153 0.1395 0.1395
Mycobacterium ulcerans amidase 0.0129 0.1169 0.1646
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0001 0.0001
Schistosoma mansoni ferritin 0.001 0.0054 0.0053
Loa Loa (eye worm) hypothetical protein 0.0005 0.0001 0.0001
Echinococcus granulosus traf and tnf receptor associated protein 0.0005 0.0001 0.0001
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0668 0.6246 0.6246
Trichomonas vaginalis conserved hypothetical protein 0.073 0.683 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0001 0.0001
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0043 0.0363 0.053
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0129 0.1169 0.1168
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0129 0.1169 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0172 0.0172
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0043 0.0363 0.053
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0043 0.0363 0.053
Trypanosoma brucei lipase domain protein, putative 0.0153 0.1395 0.2041
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0043 0.0363 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0043 0.0363 0.053
Plasmodium falciparum lysophospholipase, putative 0.073 0.683 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0129 0.1169 0.1646
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.073 0.683 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0043 0.0363 0.053
Plasmodium falciparum BEM46-like protein, putative 0.0043 0.0363 0.053
Plasmodium vivax PST-A protein 0.0043 0.0363 0.053
Trypanosoma cruzi amidase, putative 0.0129 0.1169 0.1711
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0043 0.0363 0.053
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0129 0.1169 0.1711
Schistosoma mansoni ferritin 0.001 0.0054 0.0053
Loa Loa (eye worm) hypothetical protein 0.0005 0.0001 0.0001
Toxoplasma gondii peptidase S15, putative 0.0043 0.0363 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0172 0.025
Plasmodium vivax lysophospholipase, putative 0.0043 0.0363 0.053
Plasmodium vivax PST-A protein 0.0043 0.0363 0.053
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0005 0.0001 0.0001
Toxoplasma gondii phospholipase 0.0043 0.0363 1
Plasmodium falciparum esterase, putative 0.0043 0.0363 0.053
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0043 0.0363 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0363 0.053
Echinococcus granulosus synaptojanin 1 0.0005 0.0001 0.0001
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Loa Loa (eye worm) lipase 0.0153 0.1395 0.1395
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0129 0.1169 0.1711
Echinococcus multilocularis deoxyribonuclease 1 2 0.0005 0.0001 0.0001
Trichomonas vaginalis ferritin, putative 0.001 0.0054 0.0078
Plasmodium falciparum exported lipase 2 0.0043 0.0363 0.053
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Mycobacterium ulcerans hypothetical protein 0.0043 0.0363 0.0456
Plasmodium falciparum epoxide hydrolase 2 0.0043 0.0363 0.053
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Toxoplasma gondii hypothetical protein 0.0043 0.0363 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Plasmodium vivax alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Plasmodium vivax PST-A protein 0.073 0.683 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0129 0.1169 0.1169
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0172 0.025
Trichomonas vaginalis lipase containing protein, putative 0.0153 0.1395 0.2041
Mycobacterium ulcerans hypothetical protein 0.0043 0.0363 0.0456
Toxoplasma gondii hypothetical protein 0.0043 0.0363 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.0005 0.0001 0.0001
Mycobacterium ulcerans amidase 0.0129 0.1169 0.1646
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1067 1 1
Loa Loa (eye worm) amidase 0.0129 0.1169 0.1169
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0043 0.0363 0.0362
Echinococcus granulosus ankyrin repeat protein 0.0668 0.6246 0.6246
Loa Loa (eye worm) hypothetical protein 0.0005 0.0001 0.0001
Schistosoma mansoni fatty-acid amide hydrolase 0.1067 1 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Echinococcus multilocularis Phospholipase carboxylesterase 0.0043 0.0363 0.0363
Echinococcus multilocularis ferritin 0.001 0.0054 0.0054
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0129 0.1169 0.1169
Plasmodium falciparum alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Echinococcus granulosus fatty acid amide hydrolase 1 0.1067 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0129 0.1169 0.1711
Toxoplasma gondii hypothetical protein 0.0043 0.0363 1
Schistosoma mansoni ferritin 0.001 0.0054 0.0053
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0363 0.053
Toxoplasma gondii phospholipase/carboxylesterase 0.0043 0.0363 1
Plasmodium falciparum lysophospholipase, putative 0.0043 0.0363 0.053
Echinococcus granulosus Phospholipase carboxylesterase 0.0043 0.0363 0.0363
Plasmodium vivax alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0129 0.1169 0.1711
Schistosoma mansoni ferritin light chain 0.001 0.0054 0.0053
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0153 0.1395 0.1395
Trypanosoma brucei lipase domain protein, putative 0.0153 0.1395 0.2041
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0043 0.0363 0.0362
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0172 0.025
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.0363 0.053
Schistosoma mansoni ap endonuclease 0.0023 0.0172 0.0171
Leishmania major hypothetical protein, conserved 0.0043 0.0363 0.053
Brugia malayi Protein C20orf22 0.0043 0.0363 0.0363
Echinococcus multilocularis abhydrolase domain containing 3 0.0043 0.0363 0.0363
Echinococcus granulosus neutral sphingomyelinase 0.0005 0.0001 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0153 0.1395 0.2041
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Echinococcus multilocularis ankyrin repeat protein 0.0668 0.6246 0.6246
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Plasmodium falciparum lysophospholipase, putative 0.0043 0.0363 0.053
Brugia malayi TAR-binding protein 0.0076 0.0678 0.0678
Schistosoma mansoni peptidase 0.0043 0.0363 0.0362
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0172 0.025
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Echinococcus multilocularis expressed protein 0.001 0.0054 0.0054
Echinococcus granulosus abhydrolase domain containing protein 13 0.0043 0.0363 0.0363
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0043 0.0363 1
Entamoeba histolytica hypothetical protein 0.0043 0.0363 0.053
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Loa Loa (eye worm) RNA binding protein 0.0076 0.0678 0.0678
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.073 0.683 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0043 0.0363 0.053
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0172 0.025
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0172 0.1053
Leishmania major hypothetical protein, conserved 0.0043 0.0363 0.053
Entamoeba histolytica ;Alias 0.0043 0.0363 0.053
Plasmodium falciparum esterase, putative 0.073 0.683 1
Mycobacterium ulcerans amidase 0.0129 0.1169 0.1646
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0678 0.0677
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.073 0.683 1
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0043 0.0363 0.0363
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0172 0.4715
Trichomonas vaginalis conserved hypothetical protein 0.073 0.683 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0172 0.025
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0172 0.0172
Leishmania major hypothetical protein, conserved 0.0129 0.1169 0.1711
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0172 0.0172
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0001 0.0001
Plasmodium falciparum alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Echinococcus multilocularis synaptojanin 1 0.0005 0.0001 0.0001
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.073 0.683 1
Schistosoma mansoni ap endonuclease 0.0023 0.0172 0.0171
Loa Loa (eye worm) amidase 0.0129 0.1169 0.1169
Trichomonas vaginalis valacyclovir hydrolase, putative 0.073 0.683 1
Echinococcus granulosus expressed protein 0.001 0.0054 0.0054
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0.0054 0.0078
Loa Loa (eye worm) hypothetical protein 0.0005 0.0001 0.0001
Plasmodium vivax PST-A protein 0.0043 0.0363 0.053
Plasmodium vivax lysophospholipase, putative 0.0043 0.0363 0.053
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0129 0.1169 0.1646
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0043 0.0363 0.053
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0.0054 0.0078
Onchocerca volvulus 0.0153 0.1395 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Schistosoma mansoni apoferritin-2 0.001 0.0054 0.0053
Echinococcus granulosus ferritin 0.001 0.0054 0.0054
Mycobacterium ulcerans amidase 0.0129 0.1169 0.1646
Plasmodium falciparum esterase, putative 0.0043 0.0363 0.053
Brugia malayi MGC83647 protein 0.0043 0.0363 0.0363
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0678 0.0678
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0129 0.1169 0.1711
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.073 0.683 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0005 0.0001 0.0001
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1067 1 1
Schistosoma mansoni ferritin 0.001 0.0054 0.0053
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0129 0.1169 1
Trypanosoma brucei monoglyceride lipase, putative 0.073 0.683 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0043 0.0363 0.053
Mycobacterium ulcerans hypothetical protein 0.073 0.683 1
Entamoeba histolytica hypothetical protein 0.0043 0.0363 0.053
Plasmodium vivax PST-A protein 0.0043 0.0363 0.053
Trypanosoma cruzi hypothetical protein, conserved 0.0153 0.1395 0.2041
Mycobacterium ulcerans amidase 0.0129 0.1169 0.1646
Leishmania major monoglyceride lipase, putative 0.073 0.683 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0043 0.0363 0.053
Plasmodium vivax unspecified product 0.0043 0.0363 0.053
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0172 0.0172
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.073 0.683 1
Mycobacterium ulcerans lysophospholipase 0.073 0.683 1
Brugia malayi CCR4 0.0005 0.0001 0.0001
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0054 0.0456
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0129 0.1169 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0043 0.0363 0.053
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.073 0.683 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0043 0.0363 0.053
Brugia malayi Amidase family protein 0.0129 0.1169 0.1169
Brugia malayi putative amidase 0.0129 0.1169 0.1169
Mycobacterium tuberculosis Possible lysophospholipase 0.073 0.683 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0001 0.0001
Mycobacterium ulcerans hydrolase 0.0043 0.0363 0.0456
Plasmodium vivax unspecified product 0.0043 0.0363 0.053
Plasmodium falciparum lysophospholipase, putative 0.073 0.683 1
Leishmania major hypothetical protein, conserved 0.0153 0.1395 0.2041
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0001 0.0001
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0678 0.0678
Loa Loa (eye worm) hypothetical protein 0.1067 1 1
Plasmodium vivax lysophospholipase, putative 0.0043 0.0363 0.053
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0043 0.0363 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0172 0.0173
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0005 0.0001 0.0001
Schistosoma mansoni ferritin light chain 0.001 0.0054 0.0053
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0129 0.1169 0.1711
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0172 0.025
Brugia malayi Amidase family protein 0.0129 0.1169 0.1169
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0043 0.0363 0.053
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0043 0.0363 0.053
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0172 0.025
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0153 0.1395 0.1395
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0129 0.1169 0.1711
Mycobacterium ulcerans peptide amidase, GatA 0.0129 0.1169 0.1646
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9176 0.9176
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0043 0.0363 0.053
Trypanosoma cruzi monoglyceride lipase, putative 0.073 0.683 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0363 0.053
Plasmodium falciparum alpha/beta hydrolase, putative 0.0043 0.0363 0.053
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.053
Brugia malayi RNA binding protein 0.0076 0.0678 0.0678
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0001 0.0001
Plasmodium falciparum prodrug activation and resistance esterase 0.0043 0.0363 0.053
Echinococcus granulosus abhydrolase domain containing 3 0.0043 0.0363 0.0363
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0043 0.0363 0.053
Toxoplasma gondii hypothetical protein 0.0043 0.0363 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0678 0.0678
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0678 0.0677
Schistosoma mansoni amidase 0.1067 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0129 0.1169 0.1169
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0129 0.1169 0.1711
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0678 0.0677
Plasmodium falciparum exported lipase 1 0.0043 0.0363 0.053
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.073 0.683 1
Echinococcus multilocularis neutral sphingomyelinase 0.0005 0.0001 0.0001
Trypanosoma brucei monoglyceride lipase, putative 0.073 0.683 1
Trypanosoma cruzi amidase, putative 0.0129 0.1169 0.1711
Plasmodium falciparum lysophospholipase, putative 0.073 0.683 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0129 0.1169 0.1168
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0001 0.0001
Toxoplasma gondii exonuclease III APE 0.0023 0.0172 0.4715
Toxoplasma gondii protein c14orf29, putative 0.0043 0.0363 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0172 0.025
Echinococcus multilocularis transient receptor potential cation channel 0.0672 0.6288 0.6288
Echinococcus granulosus fatty acid amide hydrolase 1 0.1067 1 1
Trichomonas vaginalis lipase containing protein, putative 0.0153 0.1395 0.2041
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0005 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
AbsAC1000_uM (functional) = 7.251 uM PUBCHEM_BIOASSAY: In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504552] ChEMBL. No reference
AbsAC35 (functional) = 1.46 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (HB3 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-06_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AbsAC35 (functional) = 2.39 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (3D7 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-05_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 22.1149751 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 0.1778 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1835 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 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) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 17.7828 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
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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