Detailed information for compound 1603883

Basic information

Technical information
  • TDR Targets ID: 1603883
  • Name: 1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2-pro p-1-ynylpent-3-ynoate
  • MW: 261.316 | Formula: C15H19NO3
  • H donors: 1 H acceptors: 2 LogP: 1.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC#CC(C(=O)OC1CN2CCC1CC2)(C#CC)O
  • InChi: 1S/C15H19NO3/c1-3-7-15(18,8-4-2)14(17)19-13-11-16-9-5-12(13)6-10-16/h12-13,18H,5-6,9-11H2,1-2H3
  • InChiKey: PSNXEMLZSUPRKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • quinuclidin-3-yl 2-hydroxy-2-prop-1-ynyl-pent-3-ynoate
  • 2-hydroxy-2-prop-1-ynylpent-3-ynoic acid 3-quinuclidinyl ester
  • 2-hydroxy-2-prop-1-ynyl-pent-3-ynoic acid quinuclidin-3-yl ester
  • 1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2-prop-1-ynyl-pent-3-ynoate
  • 101931-80-0
  • 1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-(1-propynyl)-3-pentynoate
  • AIDS-143980
  • AIDS143980
  • NSC665784
  • NCI60_022767
  • 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester
  • 3-Quinuclidyl di-(1-propynyl)glycolate

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
Plasmodium vivax vivapain-2 0.0019 0.0031 0.0065
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0228 0.1531 0.1924
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0075 0.043 0.0519
Leishmania major hypothetical protein, conserved 0.0047 0.0228 0.139
Mycobacterium ulcerans polyketide synthase Pks13 0.1109 0.7862 1
Schistosoma mansoni cpg binding protein 0.0033 0.0131 0.0192
Echinococcus multilocularis lamin 0.0031 0.0116 0.0175
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0046 0.0223 0.0041
Brugia malayi beta-lactamase family protein 0.0042 0.0191 0.018
Onchocerca volvulus Huntingtin homolog 0.0142 0.0912 0.093
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0481 0.3351 0.6015
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0047 0.0228 0.0217
Onchocerca volvulus 0.0031 0.0116 0.009
Brugia malayi Phosphopantetheine attachment site family protein 0.0075 0.043 0.0419
Loa Loa (eye worm) hypothetical protein 0.1246 0.8851 1
Schistosoma mansoni hypothetical protein 0.0047 0.0231 0.037
Mycobacterium ulcerans polyketide synthase MbtD 0.0228 0.1531 0.1747
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0031 0.0065
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0693 0.4874 0.5507
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0023 0.0035
Mycobacterium tuberculosis Probable thioesterase TesA 0.0618 0.4336 0.5501
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0075 0.043 0.0421
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Plasmodium vivax vivapain-2 0.0019 0.0031 0.0065
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0075 0.043 0.0311
Treponema pallidum acyl carrier protein 0.0075 0.043 0.5
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0046 0.0223 0.0395
Echinococcus granulosus Niemann Pick C1 protein 0.0163 0.1063 0.1886
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0116 0.0104
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0131 0.0148
Trypanosoma cruzi cruzipain precursor, putative 0.0074 0.0423 0.3312
Schistosoma mansoni zinc binding dehydrogenase 0.0046 0.0223 0.0356
Mycobacterium ulcerans dehydrogenase 0.0046 0.0223 0.0041
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0075 0.043 0.0311
Schistosoma mansoni acyl carrier protein 0.0075 0.043 0.0725
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0075 0.043 0.0311
Loa Loa (eye worm) hypothetical protein 0.0047 0.0228 0.0258
Onchocerca volvulus 0.0033 0.0131 0.0105
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0345 0.0581
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0075 0.043 0.0311
Onchocerca volvulus 0.0042 0.0191 0.0169
Loa Loa (eye worm) hypothetical protein 0.0175 0.115 0.1299
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0607 0.4253 0.5396
Mycobacterium leprae PROBABLE NADP-DEPENDENT ALCOHOL DEHYDROGENASE ADHC 0.0046 0.0223 0.0041
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0046 0.0223 0.1654
Onchocerca volvulus 0.0693 0.4874 0.5112
Trypanosoma brucei oxidoreductase, putative 0.0046 0.0223 0.1654
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0047 0.0228 0.0053
Mycobacterium ulcerans acyl carrier protein 0.0075 0.043 0.0311
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0223 0.0211
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0046 0.0223 0.1307
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0046 0.0223 0.0041
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0252
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0031 0.0065
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0031 0.0047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.0712 0.1262
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0046 0.0223 0.1654
Trypanosoma brucei oxidoreductase, putative 0.0046 0.0223 0.1654
Echinococcus granulosus microtubule associated protein 2 0.08 0.5639 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.0712 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0191 0.034
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0075 0.043 0.0311
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0046 0.0223 0.2819
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.0712 0.1071
Entamoeba histolytica acyl-CoA synthetase, putative 0.0075 0.043 0.5867
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0075 0.043 0.0311
Schistosoma mansoni hypothetical protein 0.0196 0.1303 0.2279
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0102 0.0649
Brugia malayi Cathepsin L-like precursor 0.0019 0.0031 0.0019
Toxoplasma gondii quinone oxidoreductase, putative 0.0046 0.0223 0.0361
Mycobacterium tuberculosis Possible dehydrogenase 0.0046 0.0223 0.0255
Leishmania major hypothetical protein, conserved 0.0029 0.0102 0.0531
Leishmania major hypothetical protein, conserved 0.0224 0.1498 1
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0046 0.0223 0.0041
Onchocerca volvulus Fatty acid synthase homolog 0.1338 0.9505 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0186 0.123 0.1354
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0046 0.0223 0.0255
Leishmania major cathepsin L-like protease 0.0019 0.0031 0.0053
Leishmania major cathepsin L-like protease 0.0019 0.0031 0.0053
Schistosoma mansoni alcohol dehydrogenase 0.0046 0.0223 0.0356
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0423 0.3312
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0719 0.5061 0.6427
Mycobacterium ulcerans short-chain dehydrogenase 0.0046 0.0223 0.0041
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0047 0.0228 0.0343
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0533 0.3723 0.4719
Loa Loa (eye worm) hypothetical protein 0.0019 0.0031 0.0035
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0046 0.0223 0.1354
Mycobacterium tuberculosis Conserved protein 0.0042 0.0191 0.0215
Onchocerca volvulus 0.0175 0.115 0.1181
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0075 0.043 0.0519
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0046 0.0223 0.0041
Echinococcus multilocularis AMP dependent ligase 0.0075 0.043 0.0648
Leishmania major cathepsin L-like protease 0.0019 0.0031 0.0053
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0075 0.043 0.0419
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0597 0.4183 0.5203
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0191 0.1093
Echinococcus granulosus expressed conserved protein 0.0107 0.0662 0.1174
Chlamydia trachomatis acyl carrier protein 0.0075 0.043 0.2016
Onchocerca volvulus 0.0042 0.0191 0.0169
Echinococcus granulosus cathepsin l1 0.0019 0.0031 0.0055
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0046 0.0223 0.0335
Brugia malayi CHE-14 protein 0.0049 0.0243 0.0232
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0031 0.0047
Schistosoma mansoni lamin 0.0031 0.0116 0.0166
Echinococcus multilocularis musashi 0.0031 0.0116 0.0175
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0422 0.2923 0.37
Loa Loa (eye worm) hypothetical protein 0.0031 0.0116 0.0131
Loa Loa (eye worm) hypothetical protein 0.0114 0.071 0.0802
Schistosoma mansoni hypothetical protein 0.0047 0.0231 0.037
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.03 0.2048 0.2583
Schistosoma mansoni hypothetical protein 0.0075 0.043 0.0725
Mycobacterium ulcerans quinone oxidoreductase 0.0046 0.0223 0.0041
Brugia malayi Cathepsin L-like precursor 0.0019 0.0031 0.0019
Onchocerca volvulus 0.0031 0.0116 0.009
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0031 0.0019
Mycobacterium ulcerans polyketide synthase 0.0742 0.5225 0.6562
Leishmania major zinc-binding dehydrogenase-like protein 0.0046 0.0223 0.1354
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0788 0.5556 0.6993
Toxoplasma gondii type I fatty acid synthase 0.0114 0.071 0.1241
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0106 0.0656 0.5243
Mycobacterium ulcerans fatty acid synthase Fas 0.0233 0.1567 0.1793
Echinococcus granulosus lamin dm0 0.0031 0.0116 0.0206
Brugia malayi Cathepsin L-like precursor 0.0019 0.0031 0.0019
Leishmania major cathepsin L-like protease 0.0074 0.0423 0.271
Schistosoma mansoni cpg binding protein 0.0035 0.0144 0.0216
Mycobacterium leprae conserved hypothetical protein 0.0075 0.043 0.0311
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0102 0.0649
Onchocerca volvulus 0.0042 0.0191 0.0169
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0223 0.0211
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0046 0.0223 0.0255
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0075 0.043 0.0519
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0047 0.0228 0.0048
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0102 0.0142
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Echinococcus multilocularis Niemann Pick C1 protein 0.0163 0.1063 0.16
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Mycobacterium tuberculosis Possible dehydrogenase 0.0046 0.0223 0.0255
Mycobacterium ulcerans oxidoreductase 0.0046 0.0223 0.0041
Mycobacterium ulcerans thioesterase TesA 0.0618 0.4336 0.5403
Mycobacterium tuberculosis Hypothetical protein 0.0224 0.1498 0.1882
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0075 0.043 0.0419
Entamoeba histolytica acyl-CoA synthetase, putative 0.0075 0.043 0.5867
Toxoplasma gondii cathepsin CPL 0.0019 0.0031 0.0014
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0046 0.0223 0.0255
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0491 0.3418 0.4207
Mycobacterium tuberculosis Conserved hypothetical protein 0.0075 0.043 0.0519
Brugia malayi hypothetical protein 0.0175 0.115 0.114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0377 0.293
Echinococcus multilocularis cysteine protease 0.0019 0.0031 0.0047
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0114 0.071 0.0876
Plasmodium vivax acyl carrier protein, putative 0.0075 0.043 0.3373
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0186 0.123 1
Mycobacterium tuberculosis Conserved protein 0.0042 0.0191 0.0215
Loa Loa (eye worm) fatty acid synthase 0.0732 0.5154 0.5823
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0046 0.0223 0.0361
Loa Loa (eye worm) hypothetical protein 0.0416 0.288 0.3254
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0046 0.0223 0.1654
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0186 0.123 1
Trypanosoma cruzi oxidoreductase, putative 0.0046 0.0223 0.1654
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0252
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0046 0.0223 0.1307
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0023 0.0035
Onchocerca volvulus 0.0075 0.043 0.0421
Echinococcus granulosus NADH dehydrogenase 0.0075 0.043 0.0763
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0031 0.0014
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0023 0.0041
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0046 0.0223 0.2819
Onchocerca volvulus Putative alcohol dehydrogenase 0.0046 0.0223 0.0202
Leishmania major cathepsin L-like protease 0.0019 0.0031 0.0053
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0046 0.0223 0.0041
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0186 0.123 0.8183
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0046 0.0223 0.1307
Loa Loa (eye worm) hypothetical protein 0.006 0.0323 0.0365
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0075 0.043 0.0311
Echinococcus multilocularis expressed conserved protein 0.0107 0.0662 0.0996
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0186 0.123 1
Brugia malayi hypothetical protein 0.0019 0.0027 0.0015
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0181 0.1195 0.1494
Echinococcus granulosus AMP dependent ligase 0.0075 0.043 0.0763
Brugia malayi isocitrate dehydrogenase 0.0018 0.0023 0.0011
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0186 0.123 1
Mycobacterium tuberculosis Conserved protein 0.0042 0.0191 0.0215
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0046 0.0223 0.0255
Mycobacterium ulcerans oxidoreductase 0.0046 0.0223 0.0041
Toxoplasma gondii acyl carrier protein ACP 0.0075 0.043 0.0736
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0031 0.0047
Toxoplasma gondii type I fatty acid synthase, putative 0.0528 0.3688 0.6624
Mycobacterium leprae Probable oxidireductase 0.0046 0.0223 0.0041
Echinococcus granulosus dnaJ subfamily B 0.0474 0.3298 0.5849
Loa Loa (eye worm) hypothetical protein 0.0042 0.0191 0.0216
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0191 0.1093
Mycobacterium ulcerans thioesterase 0.0618 0.4336 0.5403
Schistosoma mansoni hypothetical protein 0.0196 0.1303 0.2279
Brugia malayi Cathepsin L-like precursor 0.0019 0.0031 0.0019
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0046 0.0223 0.0041
Schistosoma mansoni [ACP] S-malonyltransferase 0.0047 0.0228 0.0365
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0191 0.0215
Brugia malayi Alcohol dehydrogenase class III 0.0046 0.0223 0.0211
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0719 0.5061 0.6427
Onchocerca volvulus 0.0046 0.0223 0.0202
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0788 0.5556 0.7058
Loa Loa (eye worm) beta-lactamase 0.0042 0.0191 0.0216
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0788 0.5556 0.6993
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0191 0.0215
Plasmodium vivax hypothetical protein, conserved 0.0106 0.0656 0.5243
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0031 0.0035
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0116 0.0724 0.1248
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0186 0.123 1
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0046 0.0223 0.0255
Leishmania major acyl carrier protein, putative 0.0075 0.043 0.276
Loa Loa (eye worm) hypothetical protein 0.0142 0.0912 0.103
Loa Loa (eye worm) fibroinase 0.0019 0.0031 0.0035
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0233 0.1567 0.1969
Mycobacterium ulcerans oxidoreductase FadB5 0.0046 0.0223 0.0041
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.094 0.6645 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0191 0.1394
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0023 0.0011
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0075 0.043 0.0519
Schistosoma mansoni intermediate filament proteins 0.0031 0.0116 0.0166
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0191 0.018
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0031 0.0014
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0186 0.123 1
Mycobacterium ulcerans polyketide synthase MbtC 0.0186 0.123 0.1354
Loa Loa (eye worm) hypothetical protein 0.0042 0.0191 0.0216
Onchocerca volvulus 0.1291 0.9174 0.965
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0031 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0224 0.1498 1
Schistosoma mansoni methyltransferase-related 0.0224 0.1498 0.2627
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0046 0.0223 0.0255
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0116 0.0131
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0191 0.1394
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0075 0.043 0.0486
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0075 0.043 0.0519
Leishmania major oxidoreductase-like protein 0.0046 0.0223 0.1354
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0886 0.1001
Echinococcus granulosus intermediate filament protein 0.0031 0.0116 0.0206
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0223 0.0211
Trypanosoma brucei acyl transferase-like protein 0.0047 0.0228 0.1699
Leishmania major d-xylulose reductase, putative 0.0046 0.0223 0.1354
Echinococcus granulosus acyl carrier protein mitochondrial 0.0075 0.043 0.0763
Loa Loa (eye worm) hypothetical protein 0.0049 0.0243 0.0275
Loa Loa (eye worm) hypothetical protein 0.0042 0.0191 0.0216
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0742 0.5225 0.5219
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.1109 0.7862 1
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0186 0.123 0.2182
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0023 0.0035
Mycobacterium ulcerans acyl carrier protein 0.0075 0.043 0.0311
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0046 0.0223 0.0041
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0742 0.5225 0.6635
Mycobacterium ulcerans Type I modular polyketide synthase 0.0742 0.5225 0.6562
Echinococcus granulosus geminin 0.0196 0.1303 0.2311
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0788 0.5556 0.7058
Schistosoma mansoni hypothetical protein 0.0474 0.3298 0.5832
Leishmania major hypothetical protein, conserved 0.0042 0.0191 0.1141
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0252
Trypanosoma cruzi oxidoreductase, putative 0.0046 0.0223 0.1654
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0191 0.0215
Brugia malayi beta-lactamase 0.0042 0.0191 0.018
Brugia malayi Cathepsin L-like precursor 0.0019 0.0031 0.0019
Loa Loa (eye worm) hypothetical protein 0.0042 0.0191 0.0216
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0191 0.0215
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0012 0.0013
Mycobacterium leprae Probable alcohol dehydrogenase AdhA 0.0046 0.0223 0.0041
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0191 0.1394
Brugia malayi AMP-binding enzyme family protein 0.0693 0.4874 0.4868
Echinococcus multilocularis microtubule associated protein 2 0.08 0.5639 0.8486
Mycobacterium ulcerans Type I modular polyketide synthase 0.0742 0.5225 0.6562
Mycobacterium ulcerans quinone oxidoreductase 0.0046 0.0223 0.0041
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0046 0.0223 0.2819
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0788 0.5556 0.6993
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0102 0.0649
Mycobacterium ulcerans acyl-CoA synthetase 0.0075 0.043 0.0311
Loa Loa (eye worm) hypothetical protein 0.0142 0.0912 0.103
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0243 0.0432
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0491 0.3418 0.4207
Loa Loa (eye worm) acyl carrier protein 0.0341 0.2344 0.2648
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0191 0.1093
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0116 0.0131
Loa Loa (eye worm) ctsf protein 0.0019 0.0031 0.0035
Loa Loa (eye worm) hypothetical protein 0.0042 0.0191 0.0216
Leishmania major oxidoreductase, putative 0.0046 0.0223 0.1354
Plasmodium falciparum malonyl CoA-acyl carrier protein transacylase 0.0047 0.0228 0.1699
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Echinococcus multilocularis geminin 0.0196 0.1303 0.1961
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0075 0.043 0.2059
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0046 0.0223 0.0255
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0742 0.5225 0.6562
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0186 0.123 1
Leishmania major nuclear receptor binding factor-like protein 0.0046 0.0223 0.1354
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0423 0.3312
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0742 0.5225 0.6562
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0597 0.4183 0.5203
Mycobacterium ulcerans quinone reductase Qor 0.0046 0.0223 0.0041
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0102 0.0649
Echinococcus granulosus lamin 0.0031 0.0116 0.0206
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0186 0.123 0.139
Mycobacterium ulcerans Type I modular polyketide synthase 0.0742 0.5225 0.6562
Trypanosoma cruzi oxidoreductase, putative 0.0046 0.0223 0.1654
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0046 0.0223 0.0255
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0191 0.1093
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0114 0.071 0.0876
Brugia malayi beta-lactamase family protein 0.0042 0.0191 0.018
Echinococcus multilocularis cysteine protease 0.0019 0.0031 0.0047
Brugia malayi Methyltransferase-like protein 4 0.0224 0.1498 0.1488
Brugia malayi intermediate filament protein 0.0031 0.0116 0.0104
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0399 0.0669
Mycobacterium ulcerans polyketide synthase Pks9 0.0491 0.3418 0.4207
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0114 0.071 0.0876
Plasmodium falciparum acyl carrier protein 0.0075 0.043 0.3373
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0191 0.0215
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0243 0.0432
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0597 0.4183 0.5203
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0267 0.1807 0.2276
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0023 0.0026
Mycobacterium leprae Polyketide synthase Pks13 0.1109 0.7862 1
Leishmania major cathepsin L-like protease 0.0074 0.0423 0.271
Loa Loa (eye worm) acyl carrier protein 0.0075 0.043 0.0486
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0309 0.237
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0046 0.0223 0.0041
Mycobacterium tuberculosis Probable oxidoreductase 0.0046 0.0223 0.0255
Schistosoma mansoni [ACP] S-malonyltransferase 0.0047 0.0228 0.0365
Schistosoma mansoni hypothetical protein 0.0047 0.0231 0.037
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0191 0.0216
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0046 0.0223 0.1654
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0102 0.0649
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0191 0.1093
Loa Loa (eye worm) cysteine protease 0.0019 0.0031 0.0035
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0243 0.0275
Echinococcus multilocularis cpg binding protein 0.0035 0.0144 0.0217
Leishmania major zinc binding dehydrogenase-like protein 0.0046 0.0223 0.1354
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0186 0.123 0.2182
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0742 0.5225 0.6635
Schistosoma mansoni cpg binding protein 0.0035 0.0144 0.0216
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0075 0.043 0.3373
Toxoplasma gondii acyl transferase domain-containing protein 0.0047 0.0228 0.0371
Toxoplasma gondii ABC1 family protein 0.0042 0.0191 0.0304
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0047 0.0228 0.1699
Echinococcus granulosus cpg binding protein 0.0035 0.0144 0.0256
Brugia malayi AMP-binding enzyme family protein 0.0228 0.1531 0.1521
Echinococcus multilocularis NADH dehydrogenase 0.0075 0.043 0.0648
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0375 0.2587 0.4634
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0423 0.3312
Mycobacterium ulcerans hypothetical protein 0.0075 0.043 0.0311
Schistosoma mansoni hypothetical protein 0.0047 0.0231 0.037
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0191 0.0215
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0693 0.4874 0.6188
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0046 0.0223 0.1654
Schistosoma mansoni lamin 0.0031 0.0116 0.0166
Mycobacterium tuberculosis Polyketide synthase Pks13 0.1109 0.7862 1
Schistosoma mansoni [ACP] S-malonyltransferase 0.0047 0.0228 0.0365
Echinococcus multilocularis dnaJ subfamily B 0.0474 0.3298 0.4963
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0788 0.5556 0.6993
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0075 0.043 0.0519
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0046 0.0223 0.0041
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0186 0.123 0.2149
Mycobacterium tuberculosis Conserved protein 0.0224 0.1498 0.1882
Schistosoma mansoni microtubule-associated protein tau 0.08 0.5639 1
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0046 0.0223 0.0041
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0046 0.0223 0.1654
Mycobacterium ulcerans polyketide synthase 0.0788 0.5556 0.6993
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0075 0.043 0.0311
Loa Loa (eye worm) hypothetical protein 0.0114 0.0712 0.0804
Loa Loa (eye worm) hypothetical protein 0.0029 0.0102 0.0115
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0031 0.0055
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0233 0.1567 0.1793
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0618 0.4336 0.5403
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0114 0.071 0.0876
Loa Loa (eye worm) hypothetical protein 0.0114 0.071 0.0802
Loa Loa (eye worm) hypothetical protein 0.0042 0.0191 0.0216
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0886 0.1001
Trypanosoma cruzi acyl transferase-like protein, putative 0.0047 0.0228 0.1699
Brugia malayi CXXC zinc finger family protein 0.0033 0.0131 0.0119
Leishmania major cathepsin L-like protease 0.0019 0.0031 0.0053
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0191 0.0288
Trichomonas vaginalis esterase, putative 0.0042 0.0191 0.1093
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0186 0.123 0.122
Leishmania major cathepsin L-like protease 0.0074 0.0423 0.271
Onchocerca volvulus 0.0046 0.0223 0.0202
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0031 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0243 0.1448
Mycobacterium leprae Probable polyketide synthase Pks1 0.0788 0.5556 0.6993
Brugia malayi Cathepsin L-like precursor 0.0019 0.0031 0.0019
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0114 0.071 0.0676
Echinococcus multilocularis protein dispatched 1 0.0056 0.0293 0.0441
Trypanosoma cruzi acyl transferase-like protein 0.0047 0.0228 0.1699
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0075 0.043 0.0648
Echinococcus multilocularis lamin dm0 0.0031 0.0116 0.0175
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0423 0.3312
Brugia malayi hypothetical protein 0.0029 0.0102 0.009
Leishmania major quinone oxidoreductase, putative 0.0046 0.0223 0.1354
Onchocerca volvulus Huntingtin homolog 0.0142 0.0912 0.093
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0031 0.0065
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0075 0.043 0.0519
Brugia malayi MH2 domain containing protein 0.0138 0.0886 0.0875
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.0712 0.07
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0186 0.123 0.1851
Brugia malayi hypothetical protein 0.0142 0.0912 0.0901
Toxoplasma gondii type I fatty acid synthase, putative 0.0788 0.5556 1
Schistosoma mansoni patched 1 0.0049 0.0243 0.0392
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0031 0.0053
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0243 0.0366
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0252
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0046 0.0223 0.0255
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0742 0.5225 0.6562
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0046 0.0223 0.0252
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0191 0.0215
Giardia lamblia Methyltransferase like 2 0.0224 0.1498 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0031 0.0065
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0031 0.0047
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0186 0.123 0.1354
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0742 0.5225 0.6635
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0047 0.0228 0.0405
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0191 0.03
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0046 0.0223 0.0041
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0075 0.043 0.0519
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0075 0.043 0.3373
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0046 0.0223 0.1654
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0191 0.03
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0788 0.5556 0.7058
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0191 0.1394
Echinococcus multilocularis protein patched 0.0049 0.0243 0.0366
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0102 0.0649
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0023 0.0035
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0255 0.1725 0.2171
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0023 0.0035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0112 0.0127

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) 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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