Detailed information for compound 1352774

Basic information

Technical information
  • TDR Targets ID: 1352774
  • Name: (4Z)-4-[[3-bromo-5-ethoxy-4-(2-phenylethoxy)p henyl]methylidene]-2-methyl-1,3-oxazol-5-one
  • MW: 430.292 | Formula: C21H20BrNO4
  • H donors: 0 H acceptors: 1 LogP: 4.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(/C=C/2\N=C(OC2=O)C)cc(c1OCCc1ccccc1)Br
  • InChi: 1S/C21H20BrNO4/c1-3-25-19-13-16(12-18-21(24)27-14(2)23-18)11-17(22)20(19)26-10-9-15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3/b18-12-
  • InChiKey: UMVJPVVUEXPRTM-PDGQHHTCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4Z)-4-[[3-bromo-5-ethoxy-4-(2-phenylethoxy)phenyl]methylene]-2-methyl-oxazol-5-one
  • (4Z)-4-[[3-bromo-5-ethoxy-4-(2-phenylethoxy)phenyl]methylene]-2-methyl-5-oxazolone
  • (4Z)-4-[3-bromo-5-ethoxy-4-(2-phenylethoxy)benzylidene]-2-methyl-oxazol-5-one
  • MLS000539094
  • SMR000160700
  • AN-465/41672763
  • 4-[3-bromo-5-ethoxy-4-(2-phenylethoxy)benzylidene]-2-methyl-1,3-oxazol-5(4H)-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 chromobox protein, putative 0.0043 0.0213 0.0534
Brugia malayi Smad1 0.0016 0.005 0.0247
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0095 0.0102
Schistosoma mansoni hypothetical protein 0.0852 0.5109 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0168 0.0327
Onchocerca volvulus 0.0048 0.0244 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0067 0.0131
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0384 0.1016
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0836 0.4392
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0066 0.012
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.004 0.0198 0.0388
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0067 0.0023
Brugia malayi hypothetical protein 0.0236 0.1379 0.7827
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0024 0.0047
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0024 0.0047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0536 0.105
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0059 0.0016
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0095 0.0102
Loa Loa (eye worm) hypothetical protein 0.0017 0.0059 0.0296
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.004 0.0198 0.075
Trypanosoma cruzi oxidoreductase-like protein, putative 0.004 0.0198 0.075
Schistosoma mansoni chromobox protein 0.0071 0.0384 0.0751
Echinococcus granulosus Chromo domain 0.0012 0.0024 0.0047
Mycobacterium tuberculosis Conserved protein 0.0035 0.0168 0.0327
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0337 0.0337
Brugia malayi chromobox protein homolog 3 0.004 0.0195 0.1071
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0195 0.0482
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0244 0.1353
Echinococcus granulosus Chromobox protein 3 0.0012 0.0024 0.0047
Mycobacterium tuberculosis Possible oxidoreductase 0.004 0.0198 0.0413
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0095 0.4058
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0168 0.0919
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0095 0.0118
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.0936 0.2512
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.004 0.0198 0.0298
Echinococcus granulosus cpg binding protein 0.0033 0.0152 0.0297
Loa Loa (eye worm) pigment dispersing factor receptor c 0.02 0.1167 0.6615
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Schistosoma mansoni smad1 5 8 and 0.0016 0.005 0.0098
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0168 0.0329
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Loa Loa (eye worm) hypothetical protein 0.0017 0.0059 0.0296
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.004 0.0198 0.0413
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.004 0.0198 0.0492
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0536 0.105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0536 0.0536
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0066 0.012
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0597 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0299 0.176 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.004 0.0198 0.075
Onchocerca volvulus 0.0035 0.0168 0.6548
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0067 0.0121
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0216 0.085
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0095 0.0102
Trypanosoma brucei pteridine reductase 1 0.004 0.0198 0.075
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.004 0.0198 0.0397
Loa Loa (eye worm) hypothetical protein 0.0035 0.0168 0.0919
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.004 0.0198 0.0397
Echinococcus multilocularis dnaJ subfamily B 0.0442 0.2626 0.2626
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0168 0.0407
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0536 0.105
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0168 0.0329
Schistosoma mansoni hypothetical protein 0.0137 0.0783 0.1532
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0067 0.0341
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Leishmania major dehydrogenase/oxidoreductase-like protein 0.004 0.0198 0.075
Brugia malayi Valyl-tRNA synthetase 0.0012 0.0024 0.0096
Loa Loa (eye worm) histone methyltransferase 0.001 0.0011 0.0026
Echinococcus multilocularis muscleblind protein 0.0299 0.176 0.176
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0067 0.0067
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0168 0.0407
Brugia malayi Heterochromatin protein 1 0.0071 0.0384 0.2149
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0597 0.3568 1
Schistosoma mansoni hypothetical protein 0.0063 0.0337 0.066
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0168 0.0578
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0095 0.0102
Brugia malayi Protein cec-1. 0.0012 0.0024 0.0096
Toxoplasma gondii hypothetical protein 0.005 0.0254 0.065
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.004 0.0198 0.1091
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Loa Loa (eye worm) beta-lactamase 0.0035 0.0168 0.0919
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.1325 0.362
Toxoplasma gondii exonuclease III APE 0.0019 0.0067 0.0121
Schistosoma mansoni cpg binding protein 0.0033 0.0152 0.0297
Schistosoma mansoni smad1 5 8 and 0.0016 0.005 0.0098
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0168 0.0578
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0066 0.012
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.1379 0.1379
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0168 0.0212
Chlamydia trachomatis oxoacy-ACP reductase 0.004 0.0198 0.0397
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0337 0.066
Echinococcus granulosus chromobox protein 1 0.0071 0.0384 0.0751
Brugia malayi MH2 domain containing protein 0.0016 0.005 0.0247
Onchocerca volvulus 0.0023 0.0095 0.321
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.004 0.0198 0.0198
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.005 0.0098
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.004 0.0198 0.0298
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0168 0.0168
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0095 0.05
Brugia malayi hypothetical protein 0.0012 0.0024 0.0096
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0059 0.0099
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Brugia malayi MH2 domain containing protein 0.0235 0.1375 0.7806
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0308 0.1819 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0168 0.0311
Brugia malayi MH1 domain containing protein 0.0016 0.005 0.0247
Loa Loa (eye worm) retinol dehydrogenase 12 0.004 0.0198 0.1091
Schistosoma mansoni hypothetical protein 0.0852 0.5109 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0095 0.4058
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0168 0.0327
Schistosoma mansoni chromobox protein 0.0012 0.0024 0.0047
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0095 0.05
Schistosoma mansoni hypothetical protein 0.0012 0.0024 0.0047
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0095 0.0159
Leishmania major mitochondrial DNA polymerase beta 0.0308 0.1819 1
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.005 0.005
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0168 0.0311
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0044 0.0056
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0095 0.0102
Echinococcus multilocularis Smad4 0.0016 0.005 0.005
Schistosoma mansoni dihydropteridine reductase 0.004 0.0198 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0047 0.0064
Leishmania major hypothetical protein, conserved 0.0035 0.0168 0.0578
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.0035 0.0035
Echinococcus granulosus dnaJ subfamily B 0.0442 0.2626 0.514
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0168 0.0327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0536 0.105
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.004 0.0198 0.0492
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0168 0.0578
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0597 0.3568 1
Schistosoma mansoni hypothetical protein 0.0063 0.0337 0.066
Schistosoma mansoni cpg binding protein 0.0033 0.0152 0.0297
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.004 0.0198 0.075
Loa Loa (eye worm) hypothetical protein 0.0299 0.176 1
Schistosoma mansoni cpg binding protein 0.0031 0.0141 0.0276
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0597 0.3568 1
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.1379 0.27
Loa Loa (eye worm) hypothetical protein 0.0035 0.0168 0.0919
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0337 0.1884
Leishmania major oxidoreductase-like protein 0.004 0.0198 0.075
Schistosoma mansoni ap endonuclease 0.0019 0.0067 0.0131
Leishmania major dehydrogenase/oxidoreductase-like protein 0.004 0.0198 0.075
Mycobacterium tuberculosis Probable oxidoreductase 0.004 0.0198 0.0413
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0028 0.0055
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0216 0.085
Mycobacterium ulcerans oxidoreductase 0.004 0.0198 0.0397
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Loa Loa (eye worm) hypothetical protein 0.0017 0.0059 0.0296
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0273 0.1177
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0309 0.0805
Echinococcus granulosus chromobox protein 1 0.0071 0.0384 0.0751
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0066 0.012
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Schistosoma mansoni ap endonuclease 0.0019 0.0067 0.0131
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.1071
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.004 0.0198 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.1379 0.7827
Echinococcus granulosus Smad4 0.0016 0.005 0.0098
Echinococcus multilocularis Chromo domain 0.0012 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.05
Toxoplasma gondii ABC1 family protein 0.0035 0.0168 0.0407
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.1375 0.7806
Brugia malayi Calcitonin receptor-like protein seb-1 0.02 0.1167 0.6615
Loa Loa (eye worm) helicase 0.0012 0.0024 0.0096
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0067 0.0121
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0216 0.085
Echinococcus multilocularis geminin 0.0852 0.5109 0.5109
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0195 0.0482
Loa Loa (eye worm) hypothetical protein 0.0035 0.0168 0.0919
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0024 0.0047
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.004 0.0198 0.0413
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0337 0.1884
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0168 0.0407
Brugia malayi beta-lactamase family protein 0.0035 0.0168 0.0919
Mycobacterium leprae Probable lipase LipE 0.0035 0.0168 0.0212
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.004 0.0198 0.0492
Brugia malayi beta-lactamase family protein 0.0035 0.0168 0.0919
Loa Loa (eye worm) hypothetical protein 0.0017 0.0059 0.0296
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0067 0.0039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0066 0.012
Loa Loa (eye worm) hypothetical protein 0.0137 0.0783 0.4425
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0597 0.3568 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0337 0.066
Onchocerca volvulus 0.0031 0.0141 0.5319
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.0783 0.4425
Loa Loa (eye worm) hypothetical protein 0.0063 0.0337 0.1884
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.004 0.0198 0.0397
Brugia malayi CXXC zinc finger family protein 0.0031 0.0141 0.0765
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0095 0.0118
Schistosoma mansoni Smad4 0.0016 0.005 0.0098
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0168 0.0327
Brugia malayi MH1 domain containing protein 0.0016 0.005 0.0247
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0059 0.0099
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0168 0.0311
Leishmania major 3-oxoacyl-ACP reductase, putative 0.004 0.0198 0.075
Brugia malayi SET domain containing protein 0.0012 0.0028 0.012
Mycobacterium tuberculosis Possible oxidoreductase 0.004 0.0198 0.0413
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.004 0.0198 0.0413
Trichomonas vaginalis hypothetical protein 0.0597 0.3568 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0024 0.0024
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0213 0.8582
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.0035 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0168 0.0407
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0095 0.4058
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Schistosoma mansoni survival motor neuron protein 0.0048 0.0244 0.0478
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0067 0.2464
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0168 0.0407
Loa Loa (eye worm) hypothetical protein 0.004 0.0198 0.1091
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.004 0.0198 0.0397
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0168 0.0327
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0024 0.0047
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.004 0.0198 0.0397
Loa Loa (eye worm) hypothetical protein 0.0035 0.0168 0.0919
Echinococcus multilocularis chromobox protein 1 0.0071 0.0384 0.0384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0536 0.105
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0337 0.1884
Loa Loa (eye worm) hypothetical protein 0.0017 0.0059 0.0296
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.004 0.0198 0.0397
Echinococcus granulosus geminin 0.0852 0.5109 1
Echinococcus multilocularis cpg binding protein 0.0033 0.0152 0.0152
Echinococcus multilocularis chromobox protein 1 0.0071 0.0384 0.0384
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0213 0.0534
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0168 0.0407
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.1819 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0095 0.0102
Echinococcus multilocularis GPCR, family 2 0.0063 0.0337 0.0337
Echinococcus multilocularis chromobox protein 2 0.0012 0.0024 0.0024
Echinococcus granulosus smad 0.0016 0.005 0.0098
Mycobacterium tuberculosis Conserved protein 0.0035 0.0168 0.0327
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.004 0.0198 0.0413
Brugia malayi beta-lactamase 0.0035 0.0168 0.0919
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0351 0.0688
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0536 0.302
Schistosoma mansoni chromobox protein 0.0012 0.0024 0.0047
Onchocerca volvulus 0.0031 0.0143 0.5386
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.004 0.0198 0.0413
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0067 0.0121
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0067 0.5
Schistosoma mansoni smad 0.0016 0.005 0.0098
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0168 0.0329
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Echinococcus granulosus muscleblind protein 0.0299 0.176 0.3445
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0124 0.0283
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0011 0.0022
Echinococcus granulosus chromobox protein 2 0.0012 0.0024 0.0047
Echinococcus granulosus GPCR family 2 0.0063 0.0337 0.066
Loa Loa (eye worm) hypothetical protein 0.02 0.1167 0.6615
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.005 0.0098
Loa Loa (eye worm) Smad1 0.0016 0.005 0.0247
Onchocerca volvulus 0.004 0.0198 0.7911
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.004 0.0198 0.0397
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.005 0.005
Echinococcus multilocularis muscleblind protein 1 0.0299 0.176 0.176
Mycobacterium ulcerans short chain dehydrogenase 0.004 0.0198 0.0397
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0597 0.3568 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0168 0.0311
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Schistosoma mansoni smad1 5 8 and 0.0016 0.005 0.0098
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0216 0.085
Schistosoma mansoni hypothetical protein 0.0063 0.0337 0.066
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0047 0.0064
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.0024 0.0096
Echinococcus multilocularis smad 0.0016 0.005 0.005
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0095 0.0159
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.004 0.0198 0.0397
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0095 0.0102
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0384 0.1016
Onchocerca volvulus 0.0035 0.0168 0.6548
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.05
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.0035 0.0068
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.004 0.0198 0.1091
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.004 0.0198 0.1091
Loa Loa (eye worm) hypothetical protein 0.0035 0.0168 0.0919
Brugia malayi CHD4 protein 0.0013 0.0035 0.0157
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0066 0.012
Trichomonas vaginalis esterase, putative 0.0035 0.0168 0.0407
Mycobacterium ulcerans hypothetical protein 0.0162 0.0936 0.25
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.004 0.0198 0.0413
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0035 0.0068
Loa Loa (eye worm) hypothetical protein 0.0031 0.0143 0.0773
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.005 0.0098
Loa Loa (eye worm) oxidoreductase 0.004 0.0198 0.1091
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.02 0.1167 0.6615
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0024 0.0096
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0124 0.0283
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.004 0.0198 0.0397
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0141 0.0765
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0536 0.302
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0024 0.0024
Brugia malayi MH2 domain containing protein 0.0016 0.005 0.0247
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.004 0.0198 0.0492
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0536 0.0536
Onchocerca volvulus 0.0035 0.0168 0.6548
Schistosoma mansoni hypothetical protein 0.0048 0.0244 0.0478
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.05
Loa Loa (eye worm) hypothetical protein 0.0035 0.0168 0.0919
Brugia malayi Muscleblind-like protein 0.0299 0.176 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0011 0.0021
Onchocerca volvulus 0.0012 0.0028 0.0186
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0095 0.0159
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0195 0.7751
Mycobacterium ulcerans beta-lactamase 0.0035 0.0168 0.0311
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0168 0.0919
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.1375 0.7806
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0095 0.05
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0024 0.0096
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0067 0.0121
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0066 0.012
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.004 0.0198 0.0375
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0066 0.012
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0384 0.2149
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.004 0.0198 0.0397
Trypanosoma brucei oxidoreductase-like protein 0.004 0.0198 0.075
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0168 0.0327
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.0836 0.4392
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.004 0.0198 0.0492
Plasmodium falciparum enoyl-acyl carrier reductase 0.0597 0.3568 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0168 0.0327
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.1819 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0597 0.3568 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0168 0.0327
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0096
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.005 0.0247
Schistosoma mansoni chromobox protein 0.0071 0.0384 0.0751
Onchocerca volvulus 0.004 0.0198 0.7911
Schistosoma mansoni hypothetical protein 0.0063 0.0337 0.066
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.005 0.0247
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0095 0.0102
Leishmania major pteridine reductase 1 0.004 0.0198 0.075
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0836 0.4392
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.004 0.0198 0.0388
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0067 0.5
Schistosoma mansoni hypothetical protein 0.0442 0.2626 0.514
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0067 0.0341

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 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) 22.3872 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 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) = 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) 63.0957 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.