Detailed information for compound 1337153

Basic information

Technical information
  • TDR Targets ID: 1337153
  • Name: 5-(3-chlorophenyl)-N-[(2-ethyltetrazol-5-yl)c arbamothioyl]furan-2-carboxamide
  • MW: 376.821 | Formula: C15H13ClN6O2S
  • H donors: 2 H acceptors: 4 LogP: 4.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1nnc(n1)NC(=S)NC(=O)c1ccc(o1)c1cccc(c1)Cl
  • InChi: 1S/C15H13ClN6O2S/c1-2-22-20-14(19-21-22)18-15(25)17-13(23)12-7-6-11(24-12)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H2,17,18,20,23,25)
  • InChiKey: SCHXFDFTQJLIAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3-chlorophenyl)-N-[[(2-ethyl-5-tetrazolyl)amino]-thioxomethyl]-2-furancarboxamide
  • 5-(3-chlorophenyl)-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]-2-furamide
  • 5-(3-chlorophenyl)-N-[(2-ethyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]furan-2-carboxamide
  • 1-[5-(3-Chloro-phenyl)-furan-2-carbonyl]-3-(2-ethyl-2H-tetrazol-5-yl)-thiourea
  • MLS000763281
  • SMR000439850
  • ZINC02354226
  • STOCK5S-56609

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glutathione reductase 0.0046 0.0333 0.1424
Echinococcus granulosus transient receptor potential gamma protein 0.0107 0.1091 0.101
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0179 0.009
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.009 0.0883 0.2414
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0095 0.0242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Onchocerca volvulus Huntingtin homolog 0.0121 0.1264 0.6097
Loa Loa (eye worm) hypothetical protein 0.0121 0.1264 0.5565
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0294 0.3377 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0394 0.0307
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0179 0.009
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0394 0.0925
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0095 0.0015
Loa Loa (eye worm) hypothetical protein 0.0121 0.1264 0.5565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0394 0.0307
Echinococcus granulosus short transient receptor potential channel 6 0.0071 0.0644 0.056
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0179 0.0272
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0294 0.3377 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0091 0.0889 0.2433
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0095 0.0242
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1889 0.5575
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0192 0.2132 0.6213
Brugia malayi Muscleblind-like protein 0.0162 0.1762 0.5089
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0294 0.3377 0.3317
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0294 0.3377 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Schistosoma mansoni hypothetical protein 0.009 0.0883 0.0801
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0095 0.0013
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1762 0.7784
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.009 0.0883 0.0801
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0294 0.3377 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 1
Echinococcus granulosus TRP transient receptor potential channel 0.004 0.0263 0.0175
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0091 0.0889 0.2433
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.009
Plasmodium falciparum glutathione reductase 0.0046 0.0333 0.0952
Brugia malayi hypothetical protein 0.0182 0.2012 0.5848
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Echinococcus granulosus transient receptor potential ion channel A 0.0104 0.1047 0.0966
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1889 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.009 0.0883 0.0801
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1051 0.5567
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0091 0.0889 0.2433
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.009 0.0883 0.0801
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0805 0.1783
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0333 0.1424
Echinococcus multilocularis transient receptor potential ion channel A 0.0104 0.1047 0.0966
Loa Loa (eye worm) hypothetical protein 0.0026 0.0095 0.0362
Schistosoma mansoni tar DNA-binding protein 0.007 0.0633 0.0548
Leishmania major trypanothione reductase 0.0046 0.0333 0.0741
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0192 0.2132 0.6213
Loa Loa (eye worm) hypothetical protein 0.0067 0.06 0.2613
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0095 0.0013
Loa Loa (eye worm) hypothetical protein 0.0162 0.1762 0.7784
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0394 0.1693
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0333 0.1764
Schistosoma mansoni hypothetical protein 0.0205 0.2284 0.2214
Echinococcus granulosus geminin 0.0205 0.2284 0.2214
Mycobacterium tuberculosis Probable reductase 0.0104 0.1051 0.5567
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0351 0.0652
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0351 0.0652
Schistosoma mansoni tar DNA-binding protein 0.007 0.0633 0.0548
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0091 0.0889 0.2433
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1051 0.5567
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0095 0.0015
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0294 0.3377 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0095 0.0242
Chlamydia trachomatis DNA ligase 0.0028 0.0119 0.0314
Schistosoma mansoni chromobox protein 0.0084 0.0805 0.0722
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Entamoeba histolytica hypothetical protein 0.0036 0.021 0.0301
Loa Loa (eye worm) hypothetical protein 0.0033 0.0179 0.0737
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0095 0.05
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0294 0.3377 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0294 0.3377 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4104 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0805 0.0722
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0192 0.2132 0.6213
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0294 0.3377 0.3317
Echinococcus granulosus tumor protein p63 0.0367 0.4274 0.4222
Onchocerca volvulus 0.0037 0.0226 0.0687
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0294 0.3377 0.3317
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0633 0.2757
Schistosoma mansoni tar DNA-binding protein 0.007 0.0633 0.0548
Schistosoma mansoni transient receptor potential channel 0.0107 0.1091 0.101
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.009
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1194 0.6129
Plasmodium vivax glutathione reductase, putative 0.0046 0.0333 0.0952
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0182 0.0232
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0091 0.0889 0.2433
Echinococcus multilocularis TRP (transient receptor potential) channel 0.004 0.0263 0.0175
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0394 0.0307
Echinococcus granulosus muscleblind protein 0.0162 0.1762 0.1688
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4104 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0179 0.0272
Loa Loa (eye worm) hypothetical protein 0.0037 0.0226 0.0949
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1056 0.2941
Echinococcus multilocularis transient receptor potential gamma protein 0.0107 0.1091 0.101
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0333 0.0741
Echinococcus granulosus tar DNA binding protein 0.007 0.0633 0.0548
Schistosoma mansoni apoptosis regulator bax 0.009 0.0883 0.0801
Brugia malayi RNA binding protein 0.007 0.0633 0.1653
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0394 0.0307
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0431 0.0345
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0192 0.2134 0.2063
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0294 0.3377 0.3317
Schistosoma mansoni hypothetical protein 0.009 0.0883 0.0801
Loa Loa (eye worm) hypothetical protein 0.0054 0.0431 0.1861
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1194 0.6323
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0101 0.1016 0.2307
Echinococcus multilocularis short transient receptor potential channel 6 0.0071 0.0644 0.056
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1194 0.6323
Echinococcus multilocularis geminin 0.0205 0.2284 0.2214
Echinococcus multilocularis short transient receptor potential channel 6 0.0071 0.0644 0.056
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0294 0.3377 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0294 0.3377 0.6313
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4104 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0192 0.2134 0.9438
Loa Loa (eye worm) hypothetical protein 0.0105 0.1056 0.4642
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0179 0.009
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0192 0.2132 0.591
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0101 0.1016 0.2817
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0095 0.0242
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0294 0.3377 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0805 0.1783
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1051 0.5567
Schistosoma mansoni chromobox protein 0.0084 0.0805 0.0722
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0091 0.0889 0.2433
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0095 0.0015
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.009
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0095 0.0015
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0203 0.226 1
Schistosoma mansoni hypothetical protein 0.0071 0.065 0.0566
Loa Loa (eye worm) hypothetical protein 0.004 0.0263 0.1111
Brugia malayi TAR-binding protein 0.007 0.0633 0.1653
Loa Loa (eye worm) TAR-binding protein 0.007 0.0633 0.2757
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0179 0.0737
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0341 0.0254
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.009 0.0883 0.0801
Plasmodium falciparum thioredoxin reductase 0.0046 0.0333 0.0952
Schistosoma mansoni hypothetical protein 0.009 0.0883 0.0801
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0805 0.3524
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1889 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.009 0.0883 0.0801
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.009
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4104 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 1
Echinococcus multilocularis tumor protein p63 0.0367 0.4274 0.4222
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0182 0.0232
Entamoeba histolytica hypothetical protein 0.0036 0.021 0.0301
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0013 0.007
Echinococcus multilocularis GPCR, family 2 0.0033 0.0179 0.009
Brugia malayi hypothetical protein 0.0121 0.1264 0.3572
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0294 0.3377 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.0633 0.0548
Loa Loa (eye worm) hypothetical protein 0.0047 0.0351 0.1505
Echinococcus multilocularis chromobox protein 1 0.0084 0.0805 0.0722
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Loa Loa (eye worm) apoptosis regulator protein 0.009 0.0883 0.3871
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0203 0.226 1
Loa Loa (eye worm) rad51 0.0026 0.0089 0.034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1056 0.4642
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0294 0.3377 0.3317
Echinococcus granulosus GPCR family 2 0.0033 0.0179 0.009
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0095 0.0242
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1051 0.5334
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0294 0.3377 1
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0101 0.1018 0.5388
Brugia malayi glutathione reductase 0.0046 0.0333 0.0741
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0915
Loa Loa (eye worm) hypothetical protein 0.0192 0.2134 0.9438
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0394 0.0307
Toxoplasma gondii thioredoxin reductase 0.0046 0.0333 0.0741
Echinococcus granulosus chromobox protein 1 0.0084 0.0805 0.0722
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0294 0.3377 0.3317
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1051 0.5567
Entamoeba histolytica hypothetical protein 0.0036 0.021 0.0301
Loa Loa (eye worm) hypothetical protein 0.0026 0.0095 0.0362
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0294 0.3377 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0192 0.2134 0.2063
Schistosoma mansoni transient receptor potential channel 0.0071 0.0644 0.056
Onchocerca volvulus 0.0182 0.2012 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0095 0.0242
Loa Loa (eye worm) hypothetical protein 0.0182 0.2012 0.8895
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0294 0.3377 0.3317
Loa Loa (eye worm) hypothetical protein 0.0107 0.1091 0.4794
Schistosoma mansoni tar DNA-binding protein 0.007 0.0633 0.0548
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0095 0.0242
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0095 0.0013
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.021 0.0122
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0192 0.2134 0.9438
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0341 0.0254
Loa Loa (eye worm) hypothetical protein 0.0026 0.0095 0.0362
Schistosoma mansoni hypothetical protein 0.0036 0.021 0.0122
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0294 0.3377 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.065 0.2834
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0395 0.0762
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0192 0.2134 0.5093
Echinococcus granulosus chromobox protein 1 0.0084 0.0805 0.0722
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0095 0.05
Onchocerca volvulus 0.0054 0.0431 0.1757
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0394 0.0307
Echinococcus multilocularis muscleblind protein 1 0.0162 0.1762 0.1688
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0395 0.0762
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0095 0.0015
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0101 0.1018 0.5145
Entamoeba histolytica hypothetical protein 0.0036 0.021 0.0301
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0095 0.0242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0633 0.0548
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0333 0.0952
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.021 0.0122
Brugia malayi Thioredoxin reductase 0.0046 0.0333 0.0741
Brugia malayi chromobox protein homolog 3 0.0047 0.0351 0.0797
Loa Loa (eye worm) hypothetical protein 0.009 0.0883 0.3871
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0192 0.2134 0.5093
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0351 0.134
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0179 0.009
Brugia malayi hypothetical protein 0.0036 0.021 0.0368
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0294 0.3377 1
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.065 0.1705
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0095 0.0015
Brugia malayi Heterochromatin protein 1 0.0084 0.0805 0.2177
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1194 0.6323
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1051 0.5567
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0294 0.3377 1
Schistosoma mansoni transient receptor potential channel 0.0071 0.0644 0.056
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.021 0.0122
Loa Loa (eye worm) RNA binding protein 0.007 0.0633 0.2757
Echinococcus granulosus short transient receptor potential channel 6 0.0071 0.0644 0.056
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0294 0.3377 0.8189
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0294 0.3377 1
Brugia malayi Transient-receptor-potential like protein 0.004 0.0263 0.0527
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0394 0.0307
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1056 0.2941
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0294 0.3377 0.3317
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4104 1
Onchocerca volvulus Huntingtin homolog 0.0121 0.1264 0.6097
Schistosoma mansoni hypothetical protein 0.0205 0.2284 0.2214
Schistosoma mansoni transient receptor potential channel 4 0.0107 0.1091 0.101
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0633 0.1653
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0294 0.3377 1
Echinococcus multilocularis muscleblind protein 0.0162 0.1762 0.1688
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0395 0.1569

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6101 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) = 8.9125 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 Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 30.1313 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (binding) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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