Detailed information for compound 1459568

Basic information

Technical information
  • TDR Targets ID: 1459568
  • Name: N-(4-fluorophenyl)-4-naphthalen-2-ylsulfonylp iperazine-1-carbothioamide
  • MW: 429.531 | Formula: C21H20FN3O2S2
  • H donors: 1 H acceptors: 2 LogP: 3.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=S)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2
  • InChi: 1S/C21H20FN3O2S2/c22-18-6-8-19(9-7-18)23-21(28)24-11-13-25(14-12-24)29(26,27)20-10-5-16-3-1-2-4-17(16)15-20/h1-10,15H,11-14H2,(H,23,28)
  • InChiKey: VHBXCJXICHLNIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide
  • N-(4-fluorophenyl)-4-(2-naphthylsulfonyl)-1-piperazinecarbothioamide
  • N-(4-fluorophenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide
  • ZINC03330104
  • T5308244
  • MLS000409288
  • SMR000243654

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH1 domain containing protein 0.001 0.0045 0.0045
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0145 0.1174 0.1174
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0745 0.6196 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1169 0.1169
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0156 0.1267 0.1267
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.1267 0.1596
Echinococcus granulosus intermediate filament protein 0.0033 0.0236 0.0236
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0577 0.0577
Leishmania major hypothetical protein, conserved 0.0044 0.0331 0.000000025901
Brugia malayi MGC79044 protein 0.0044 0.0331 0.0331
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.0058 0.0451 0.0451
Brugia malayi intermediate filament protein 0.0033 0.0236 0.0236
Echinococcus granulosus Phospholipase carboxylesterase 0.0044 0.0331 0.0331
Brugia malayi putative amidase 0.0145 0.1174 0.1174
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0044 0.0331 0.0331
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1169 0.1169
Trypanosoma cruzi monoglyceride lipase, putative 0.0745 0.6196 1
Schistosoma mansoni lamin 0.0033 0.0236 0.0236
Echinococcus granulosus Smad4 0.001 0.0045 0.0045
Echinococcus granulosus lamin dm0 0.0033 0.0236 0.0236
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0145 0.1174 0.1174
Brugia malayi MGC83647 protein 0.0044 0.0331 0.0331
Schistosoma mansoni intermediate filament proteins 0.0033 0.0236 0.0236
Trypanosoma brucei monoglyceride lipase, putative 0.0745 0.6196 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0577 0.042
Brugia malayi MH2 domain containing protein 0.0144 0.1169 0.1169
Brugia malayi Amidase family protein 0.0145 0.1174 0.1174
Mycobacterium ulcerans amidase 0.0145 0.1174 0.1438
Plasmodium falciparum lysophospholipase, putative 0.0745 0.6196 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0145 0.1174 0.1174
Onchocerca volvulus 0.0058 0.0451 0.3556
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0745 0.6196 1
Echinococcus multilocularis smad 0.001 0.0045 0.0045
Mycobacterium ulcerans amidase 0.0145 0.1174 0.1438
Echinococcus multilocularis muscleblind protein 0.018 0.1472 0.1472
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0145 0.1174 0.1438
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0745 0.6196 1
Trypanosoma brucei monoglyceride lipase, putative 0.0745 0.6196 1
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0044 0.0331 0.0331
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0236 0.0236
Onchocerca volvulus 0.0033 0.0236 0.1861
Trichomonas vaginalis lipase containing protein, putative 0.0156 0.1267 0.1596
Echinococcus multilocularis ankyrin repeat protein 0.0173 0.1412 0.1412
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0745 0.6196 1
Plasmodium falciparum lysophospholipase, putative 0.0745 0.6196 1
Mycobacterium ulcerans amidase 0.0145 0.1174 0.1438
Schistosoma mansoni smad1 5 8 and 0.001 0.0045 0.0045
Schistosoma mansoni peptidase 0.0044 0.0331 0.0331
Echinococcus granulosus transient receptor potential cation channel 0.0173 0.1412 0.1412
Brugia malayi MH1 domain containing protein 0.001 0.0045 0.0045
Echinococcus multilocularis musashi 0.0033 0.0236 0.0236
Brugia malayi MH1 domain containing protein 0.0005 0.0009 0.0009
Onchocerca volvulus 0.0156 0.1267 1
Brugia malayi MH2 domain containing protein 0.001 0.0045 0.0045
Mycobacterium ulcerans hypothetical protein 0.0745 0.6196 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0145 0.1174 0.1438
Echinococcus granulosus abhydrolase domain containing protein 13 0.0044 0.0331 0.0331
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0044 0.0331 0.5
Plasmodium vivax PST-A protein 0.0745 0.6196 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2352 0.2352
Loa Loa (eye worm) hypothetical protein 0.0044 0.0331 0.0331
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0045 0.0045
Trichomonas vaginalis lipase containing protein, putative 0.0156 0.1267 0.1596
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0145 0.1174 0.1174
Loa Loa (eye worm) Smad1 0.001 0.0045 0.0045
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0156 0.1267 0.1267
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0095 0.0095
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0145 0.1174 0.1438
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0145 0.1174 0.1438
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0236 0.0236
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6935 0.6935
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0577 0.042
Loa Loa (eye worm) hypothetical protein 0.0033 0.0236 0.0236
Schistosoma mansoni amidase 0.12 1 1
Schistosoma mansoni lamin 0.0033 0.0236 0.0236
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0745 0.6196 1
Trypanosoma brucei lipase domain protein, putative 0.0156 0.1267 0.1596
Loa Loa (eye worm) hypothetical protein 0.0044 0.0331 0.0331
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0015 0.009 0.009
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0044 0.0331 0.0331
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0745 0.6196 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0331 0.0331
Brugia malayi MH1 domain containing protein 0.0005 0.0009 0.0009
Echinococcus multilocularis muscleblind protein 1 0.018 0.1472 0.1472
Leishmania major hypothetical protein, conserved 0.0145 0.1174 0.1438
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.1472
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0145 0.1174 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0745 0.6196 1
Echinococcus multilocularis Smad4 0.001 0.0045 0.0045
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0577 1
Mycobacterium ulcerans lysophospholipase 0.0745 0.6196 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6935 0.6935
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0045 0.0045
Trypanosoma cruzi amidase, putative 0.0145 0.1174 0.1438
Schistosoma mansoni Smad4 0.001 0.0045 0.0045
Echinococcus multilocularis Phospholipase carboxylesterase 0.0044 0.0331 0.0331
Schistosoma mansoni smad1 5 8 and 0.001 0.0045 0.0045
Onchocerca volvulus 0.0033 0.0236 0.1861
Loa Loa (eye worm) hypothetical protein 0.0016 0.0095 0.0095
Echinococcus multilocularis abhydrolase domain containing 3 0.0044 0.0331 0.0331
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0577 0.042
Plasmodium falciparum lysophospholipase, putative 0.0745 0.6196 1
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.1267 0.1596
Loa Loa (eye worm) lipase 0.0156 0.1267 0.1267
Echinococcus granulosus abhydrolase domain containing 3 0.0044 0.0331 0.0331
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6935 0.6935
Mycobacterium tuberculosis Possible lysophospholipase 0.0745 0.6196 1
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0044 0.0331 0.0331
Mycobacterium ulcerans amidase 0.0145 0.1174 0.1438
Trichomonas vaginalis conserved hypothetical protein 0.0745 0.6196 1
Echinococcus multilocularis transient receptor potential cation channel 0.0173 0.1414 0.1414
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0145 0.1174 0.1438
Echinococcus granulosus ankyrin repeat protein 0.0173 0.1412 0.1412
Schistosoma mansoni fatty-acid amide hydrolase 0.12 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.009 0.009
Echinococcus multilocularis lamin dm0 0.0033 0.0236 0.0236
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0577 0.0577
Loa Loa (eye worm) hypothetical protein 0.12 1 1
Mycobacterium ulcerans amidase 0.0145 0.1174 0.1438
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0145 0.1174 0.1438
Brugia malayi Protein C20orf22 0.0044 0.0331 0.0331
Brugia malayi Lipase family protein 0.0156 0.1267 0.1267
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0145 0.1174 0.1438
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0145 0.1174 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0173 0.1412 0.1412
Brugia malayi Smad1 0.001 0.0045 0.0045
Brugia malayi hypothetical protein 0.0286 0.2352 0.2352
Loa Loa (eye worm) amidase 0.0145 0.1174 0.1174
Echinococcus multilocularis fatty acid amide hydrolase 1 0.12 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8155 0.8155
Leishmania major hypothetical protein, conserved 0.0156 0.1267 0.1596
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0236 0.0236
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0577 0.0577
Echinococcus granulosus fatty acid amide hydrolase 1 0.12 1 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0044 0.0331 0.0331
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0745 0.6196 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0032 0.0231 0.0231
Mycobacterium ulcerans peptide amidase, GatA 0.0145 0.1174 0.1438
Echinococcus granulosus fatty acid amide hydrolase 1 0.0145 0.1174 0.1174
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0577 0.042
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0045 0.0045
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0045 0.0045
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0095 0.0095
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0577 0.0577
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0109 0.0109
Echinococcus granulosus smad 0.001 0.0045 0.0045
Loa Loa (eye worm) nuclear factor I 0.0005 0.0009 0.0009
Schistosoma mansoni survival motor neuron protein 0.0058 0.0451 0.0451
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0145 0.1174 0.1438
Schistosoma mansoni fatty-acid amide hydrolase 0.0145 0.1174 0.1174
Echinococcus granulosus fatty acid amide hydrolase 1 0.12 1 1
Trypanosoma cruzi amidase, putative 0.0145 0.1174 0.1438
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0145 0.1174 1
Echinococcus multilocularis lamin 0.0033 0.0236 0.0236
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0286 0.2352 0.2352
Echinococcus granulosus muscleblind protein 0.018 0.1472 0.1472
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0145 0.1174 0.1438
Schistosoma mansoni smad 0.001 0.0045 0.0045
Brugia malayi Amidase family protein 0.0145 0.1174 0.1174
Brugia malayi MH2 domain containing protein 0.001 0.0045 0.0045
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0745 0.6196 1
Trypanosoma brucei lipase domain protein, putative 0.0156 0.1267 0.1596
Loa Loa (eye worm) amidase 0.0145 0.1174 0.1174
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0745 0.6196 1
Plasmodium falciparum esterase, putative 0.0745 0.6196 1
Leishmania major monoglyceride lipase, putative 0.0745 0.6196 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0109 0.0109
Echinococcus multilocularis fatty acid amide hydrolase 1 0.12 1 1
Echinococcus granulosus lamin 0.0033 0.0236 0.0236
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0045 0.0045
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0577 0.042
Brugia malayi Muscleblind-like protein 0.018 0.1472 0.1472
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2352 0.2352
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.1472
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0045 0.0045

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.9362 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) = 4.4668 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 18.3564 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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