Detailed information for compound 88371

Basic information

Technical information
  • TDR Targets ID: 88371
  • Name: 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxy urea
  • MW: 196.203 | Formula: C9H12N2O3
  • H donors: 2 H acceptors: 2 LogP: 0.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)N(C(/C=C/c1ccco1)C)O
  • InChi: 1S/C9H12N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-7,13H,1H3,(H2,10,12)/b5-4+
  • InChiKey: YQJQAHKVGNEMLM-SNAWJCMRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(E)-3-(2-furyl)-1-methyl-allyl]-1-hydroxy-urea
  • 1-[(E)-3-(2-furyl)-1-methylallyl]-1-hydroxyurea
  • 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxy-urea
  • 1-[(E)-4-furan-2-ylbut-3-en-2-yl]-1-hydroxyurea
  • 1-[(E)-3-(2-furyl)-1-methyl-prop-2-enyl]-1-hydroxy-urea
  • 1-[(E)-3-(2-furyl)-1-methylprop-2-enyl]-1-hydroxyurea
  • 1-[(E)-4-furan-2-ylbut-3-en-2-yl]-1-hydroxy-urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0027 0.0157
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.1315 0.1302
Loa Loa (eye worm) hypothetical protein 0.0048 0.0264 0.0264
Echinococcus granulosus geminin 0.0165 0.1191 0.1177
Brugia malayi Pre-SET motif family protein 0.0203 0.1489 0.1489
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0284 0.0284
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0198 0.1159
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0198 0.0172
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0061 0.0359
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0215 0.1581 0.1581
Leishmania major GTP-binding protein, putative 0.0021 0.0045 0.01
Echinococcus granulosus Excitatory amino acid transporter 0.1279 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0578 0.4458 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0112 0.0097
Brugia malayi glutathione reductase 0.0037 0.0174 0.0174
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0027 0.0027
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.02 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0039 0.0192 0.0431
Treponema pallidum glutamate/aspartate transporter 0.0567 0.4366 1
Loa Loa (eye worm) hypothetical protein 0.0215 0.1581 0.1581
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0027 0.0157
Schistosoma mansoni hypothetical protein 0.0299 0.2249 0.2237
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0061 0.0138
Echinococcus multilocularis muscleblind protein 1 0.0311 0.2345 0.2333
Brugia malayi Importin beta-1 subunit 0.0028 0.0103 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0284 0.0269
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0112 0.0097
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0039 0.0192 0.0177
Schistosoma mansoni lipoxygenase 0.0285 0.2135 0.2123
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.0318
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0578 0.4458 0.445
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0027 0.006
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0215 0.1581 0.1581
Schistosoma mansoni rab6-interacting 0.0048 0.0258 0.0243
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.0548 0.8246
Onchocerca volvulus 0.004 0.0198 0.0198
Schistosoma mansoni rab6-interacting 0.0048 0.0258 0.0243
Echinococcus multilocularis geminin 0.0165 0.1191 0.1177
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0198 0.0172
Brugia malayi Muscleblind-like protein 0.0311 0.2345 0.2345
Leishmania major trypanothione reductase 0.0037 0.0174 0.039
Entamoeba histolytica hypothetical protein 0.0023 0.0061 0.3074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0112 0.0097
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0258 0.0243
Loa Loa (eye worm) hypothetical protein 0.0048 0.0258 0.0258
Trichomonas vaginalis ran, putative 0.0021 0.0045 0.0262
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0039 0.0192 0.0177
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0039 0.0192 0.0431
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0181 0.1315 0.1315
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.0914 0.09
Mycobacterium ulcerans lipase LipD 0.004 0.0198 0.1933
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.02 0.1166
Loa Loa (eye worm) beta-lactamase 0.004 0.0198 0.0198
Onchocerca volvulus 0.0048 0.0264 0.0264
Onchocerca volvulus 0.0029 0.0112 0.0112
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0174 0.0147
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0027 0.0011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0284 0.0269
Schistosoma mansoni importin beta-1 0.0028 0.0103 0.0088
Brugia malayi hypothetical protein 0.0048 0.0258 0.0258
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0198 0.1159
Echinococcus multilocularis carbonic anhydrase 0.0215 0.1581 0.1568
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0567 0.4366 0.4358
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0112 0.0097
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0039 0.0192 0.9628
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0198 0.0172
Leishmania major alpha glucosidase II subunit, putative 0.004 0.02 0.0448
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0284 0.0269
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0284 0.0269
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0045
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0484 0.3709 0.3709
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0258 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0198 0.1159
Mycobacterium tuberculosis Conserved protein 0.004 0.0198 0.0172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0284 0.0269
Echinococcus granulosus excitatory amino acid transporter 2 0.1279 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0249 0.1849 0.1849
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.0548 0.0523
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.0318
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0578 0.4458 0.445
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0178 0.0162
Schistosoma mansoni loxhd1 0.0048 0.0258 0.0243
Toxoplasma gondii ABC1 family protein 0.004 0.0198 0.1104
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.1906 0.1884
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0623 0.0597
Echinococcus multilocularis snurportin 1 0.0299 0.2249 0.2237
Plasmodium vivax SET domain protein, putative 0.0029 0.0112 0.3686
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0045 0.0029
Loa Loa (eye worm) hypothetical protein 0.0215 0.1581 0.1581
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0039 0.0192 0.1123
Schistosoma mansoni hypothetical protein 0.0165 0.1191 0.1177
Brugia malayi hypothetical protein 0.0048 0.0258 0.0258
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0027 0.0027
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0103 0.0492
Loa Loa (eye worm) hypothetical protein 0.0311 0.2345 0.2345
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0198 0.0183
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0174 0.0174
Loa Loa (eye worm) carbonic anhydrase 3 0.0578 0.4458 0.4458
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0076 0.0318
Trichomonas vaginalis esterase, putative 0.004 0.0198 0.1159
Brugia malayi Pre-SET motif family protein 0.0029 0.0112 0.0112
Echinococcus multilocularis carbonic anhydrase 0.0215 0.1581 0.1568
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0045 0.01
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1279 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0215 0.1581 0.1581
Entamoeba histolytica Ran family GTPase 0.0021 0.0045 0.2242
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0039 0.0192 0.0431
Brugia malayi hypothetical protein 0.0025 0.0076 0.0076
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0039 0.0192 0.1123
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0198 0.0198
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.02 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0284 0.0269
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0258 0.0258
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.0548 0.0523
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0045 0.0029
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0264 0.0248
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.0548 0.0523
Echinococcus multilocularis neutral amino acid transporter A 0.1279 1 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0103 0.3305
Plasmodium falciparum importin beta, putative 0.0028 0.0103 0.0492
Onchocerca volvulus 0.0105 0.0711 0.0711
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0198 0.1933
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0198 0.0183
Brugia malayi beta-lactamase family protein 0.004 0.0198 0.0198
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.02 0.1166
Loa Loa (eye worm) hypothetical protein 0.0048 0.0258 0.0258
Brugia malayi beta-lactamase family protein 0.004 0.0198 0.0198
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0076 0.0171
Schistosoma mansoni ran 0.0021 0.0045 0.0029
Plasmodium vivax glutathione reductase, putative 0.0037 0.0174 0.6348
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0578 0.4458 0.4458
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0178 0.0162
Brugia malayi follicle stimulating hormone receptor 0.0484 0.3709 0.3709
Toxoplasma gondii thioredoxin reductase 0.0037 0.0174 0.0946
Schistosoma mansoni alpha-glucosidase 0.0156 0.1115 0.1102
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.02 0.02
Loa Loa (eye worm) excitatory amino acid transporter 0.1279 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0311 0.2345 0.2345
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.02 0.1112
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0914 1
Brugia malayi Thioredoxin reductase 0.0037 0.0174 0.0174
Echinococcus multilocularis Excitatory amino acid transporter 0.1279 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.02 0.1166
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0258 0.0243
Plasmodium falciparum carbonic anhydrase 0.0215 0.1581 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.02 0.1166
Schistosoma mansoni alpha-glucosidase 0.0156 0.1115 0.1102
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0198
Echinococcus multilocularis RUN 0.0048 0.0258 0.0243
Schistosoma mansoni ran 0.0021 0.0045 0.0029
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0198 0.0172
Onchocerca volvulus 0.0048 0.0258 0.0258
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.02 0.1166
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0567 0.4366 0.4358
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0567 0.4366 0.4358
Schistosoma mansoni carbonic anhydrase 0.0215 0.1581 0.1568
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0198 0.0183
Echinococcus granulosus neutral amino acid transporter A 0.1279 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0181 0.1315 0.1302
Schistosoma mansoni carbonic anhydrase-related 0.0215 0.1581 0.1568
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0027 0.0011
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0578 0.4458 0.4458
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0061 0.0359
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0112 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0198 0.0445
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0061 0.0359
Chlamydia trachomatis glutamate symporter 0.1279 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.02 0.0448
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0131 0.0914 0.2051
Brugia malayi MH2 domain containing protein 0.0249 0.1849 0.1849
Leishmania major hypothetical protein, conserved 0.004 0.0198 0.0445
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0016 0.0016
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1279 1 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0045
Loa Loa (eye worm) glutathione reductase 0.0037 0.0174 0.0174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0284 0.0269
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0258 0.0243
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0039 0.0192 0.9628
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0027 0.1343
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0198 0.0445
Trypanosoma brucei glucosidase, putative 0.004 0.02 0.0448
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0171
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0198 0.1933
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0045 0.0116
Brugia malayi Glycosyl hydrolases family 31 protein 0.0181 0.1315 0.1315
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0027 0.006
Schistosoma mansoni alpha glucosidase 0.004 0.02 0.0184
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0914 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.1315 0.1302
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.0548 0.0523
Toxoplasma gondii aldehyde dehydrogenase 0.0131 0.0914 0.571
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0258 0.0243
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0131 0.0914 0.09
Loa Loa (eye worm) hypothetical protein 0.0025 0.0076 0.0076
Mycobacterium tuberculosis Conserved protein 0.004 0.0198 0.0172
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0198
Mycobacterium ulcerans beta-lactamase 0.004 0.0198 0.1933
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0623 0.0597
Echinococcus granulosus neutral amino acid transporter 0.1279 1 1
Brugia malayi translation initiation factor 4E 0.0039 0.0192 0.0192
Echinococcus multilocularis excitatory amino acid transporter 2 0.1279 1 1
Echinococcus granulosus carbonic anhydrase 0.0215 0.1581 0.1568
Schistosoma mansoni carbonic anhydrase-related 0.0215 0.1581 0.1568
Schistosoma mansoni hypothetical protein 0.0048 0.0258 0.0243
Loa Loa (eye worm) hypothetical protein 0.0028 0.0103 0.0103
Echinococcus multilocularis excitatory amino acid transporter 3 0.1279 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.2249 0.2249
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0198 0.0183
Echinococcus multilocularis Excitatory amino acid transporter 0.1279 1 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0103 0.0088
Brugia malayi MH2 domain containing protein 0.0017 0.0016 0.0016
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.0548 0.0523
Mycobacterium tuberculosis Probable reductase 0.0084 0.0548 0.0523
Onchocerca volvulus 0.0231 0.1712 0.1712
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0567 0.4366 0.4358
Brugia malayi RNA, U transporter 1 0.008 0.0512 0.0512
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.02 0.1166
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1279 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0103 0.0232
Echinococcus granulosus sodium:dicarboxylate symporter 0.1279 1 1
Echinococcus granulosus carbonic anhydrase 0.0215 0.1581 0.1568
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0103 0.0232
Mycobacterium ulcerans hypothetical protein 0.004 0.0198 0.1933
Schistosoma mansoni ap endonuclease 0.0018 0.0027 0.0011
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0039 0.0192 0.1123
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.02 0.1166
Loa Loa (eye worm) translation initiation factor 4E 0.0039 0.0192 0.0192
Trypanosoma brucei carbonic anhydrase-like protein 0.0578 0.4458 1
Brugia malayi MH1 domain containing protein 0.0017 0.0016 0.0016
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0039 0.0192 0.0177
Schistosoma mansoni polycystin 1-related 0.0048 0.0258 0.0243
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0285 0.2135 0.2123
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.02 0.1166
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0198 0.0172
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0198
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0039 0.0192 0.1064
Schistosoma mansoni carbonic anhydrase-related 0.0215 0.1581 0.1568
Schistosoma mansoni ap endonuclease 0.0018 0.0027 0.0011
Plasmodium vivax hypothetical protein, conserved 0.004 0.0198 0.7409
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0198 0.1159
Brugia malayi hypothetical protein 0.0016 0.0007 0.0007
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0623 1
Brugia malayi MH2 domain containing protein 0.0017 0.0016 0.0016
Trypanosoma brucei trypanothione reductase 0.0037 0.0174 0.039
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0112 0.0097
Leishmania major carbonic anhydrase-like protein 0.0578 0.4458 1
Echinococcus granulosus carbonic anhydrase 0.0215 0.1581 0.1568
Plasmodium falciparum thioredoxin reductase 0.0037 0.0174 0.0946
Echinococcus granulosus tumor protein p63 0.033 0.2492 0.248
Echinococcus granulosus carbonic anhydrase II 0.0578 0.4458 0.445
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0198 0.0172
Leishmania major hypothetical protein, conserved 0.0025 0.0076 0.0171
Leishmania major eukaryotic translation initiation factor-like protein 0.0039 0.0192 0.0431
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0112 0.0549
Mycobacterium tuberculosis Conserved protein 0.004 0.0198 0.0172
Echinococcus granulosus RUN 0.0048 0.0258 0.0243
Onchocerca volvulus 0.004 0.0198 0.0198
Echinococcus multilocularis neutral amino acid transporter A 0.1279 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0249 0.1849 0.1849
Echinococcus multilocularis tumor protein p63 0.033 0.2492 0.248
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0198 0.0445
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0016 0.0016
Brugia malayi Doublecortin family protein 0.0048 0.0258 0.0258
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0623 0.0597
Echinococcus granulosus muscleblind protein 0.0311 0.2345 0.2333
Onchocerca volvulus 0.004 0.0198 0.0198
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0215 0.1581 0.1581
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.02 0.0448
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.0914 0.09
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0198 0.1159
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1279 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0039 0.0192 0.0431
Echinococcus granulosus neutral amino acid transporter A 0.1279 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0578 0.4458 0.4458
Schistosoma mansoni hypothetical protein 0.0165 0.1191 0.1177
Echinococcus granulosus Excitatory amino acid transporter 0.1279 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0112 0.0112
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0258 0.149
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0198 0.0198
Schistosoma mansoni hypothetical protein 0.0215 0.1581 0.1568
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.02 0.1166
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0076 0.2136
Brugia malayi Smad1 0.0017 0.0016 0.0016
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0285 0.2135 0.2123
Echinococcus multilocularis muscleblind protein 0.0311 0.2345 0.2333
Echinococcus granulosus snurportin 1 0.0299 0.2249 0.2237
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0045 0.01
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0578 0.4458 1
Toxoplasma gondii hypothetical protein 0.0215 0.1581 1
Echinococcus granulosus excitatory amino acid transporter 3 0.1279 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.1279 1 1
Leishmania major eukaryotic translation initiation factor-like 0.0039 0.0192 0.0431
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.0198
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0215 0.1581 0.1581
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1279 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0578 0.4458 0.445
Onchocerca volvulus 0.0048 0.0258 0.0258
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.02 0.0184
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0103 0.0088
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.02 0.0184
Plasmodium falciparum glutathione reductase 0.0037 0.0174 0.0946
Treponema pallidum glutamate transporter 0.0567 0.4366 1
Loa Loa (eye worm) Smad1 0.0017 0.0016 0.0016
Leishmania major importin beta-1 subunit, putative 0.0023 0.0061 0.0138
Brugia malayi MH1 domain containing protein 0.0017 0.0016 0.0016
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0027 0.006
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0039 0.0192 0.1123
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0116
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0258 0.0243
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0045 0.01
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0174 0.6348
Echinococcus multilocularis neutral amino acid transporter A 0.1279 1 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.1712 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0914 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.02 0.02
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0174 0.039
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1489 0.1489
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0131 0.0914 0.09
Echinococcus multilocularis excitatory amino acid transporter 2 0.1279 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0198 0.0172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0284 0.0284
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0027 0.006
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0131 0.0914 0.089
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0104 0.0088
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0258 0.0243
Brugia malayi beta-lactamase 0.004 0.0198 0.0198
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0045 0.0775
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0112 0.0097
Loa Loa (eye worm) hypothetical protein 0.0215 0.1581 0.1581
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0215 0.1581 0.1581
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1279 1 1
Echinococcus multilocularis carbonic anhydrase 0.0215 0.1581 0.1568
Schistosoma mansoni lipoxygenase 0.0199 0.1457 0.1444

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.76 uM Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole blood stimulated with calcium ionophore (A23187). ChEMBL. 9207936
IC50 (functional) = 0.76 uM Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole blood stimulated with calcium ionophore (A23187). ChEMBL. 9207936
IC50 (functional) = 2.1 uM Inhibition of 5-lipoxygenase on rat basophil leukemia cell line lysate (RBL-1 2H3 subline) by measuring 5-HETE production ChEMBL. 9207936
IC50 (functional) = 2.1 uM Inhibition of 5-lipoxygenase on rat basophil leukemia cell line lysate (RBL-1 2H3 subline) by measuring 5-HETE production ChEMBL. 9207936
Plasma level (ADMET) = 53 uM Plasma drug levels one hour post dose in rat (PO dose) ChEMBL. 9207936

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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