Detailed information for compound 350171

Basic information

Technical information
  • TDR Targets ID: 350171
  • Name: 2-[4-[1,3-bis(3-methoxypropyl)-2,4-dioxo-5H-p yrrolo[3,2-d]pyrimidin-6-yl]phenoxy]acetic ac id
  • MW: 445.466 | Formula: C22H27N3O7
  • H donors: 2 H acceptors: 4 LogP: 1.58 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCn1c2cc([nH]c2c(=O)n(c1=O)CCCOC)c1ccc(cc1)OCC(=O)O
  • InChi: 1S/C22H27N3O7/c1-30-11-3-9-24-18-13-17(15-5-7-16(8-6-15)32-14-19(26)27)23-20(18)21(28)25(22(24)29)10-4-12-31-2/h5-8,13,23H,3-4,9-12,14H2,1-2H3,(H,26,27)
  • InChiKey: STGTTYAHEHFQEG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[1,3-bis(3-methoxypropyl)-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenoxy]ethanoic acid
  • 2-[4-[2,4-diketo-1,3-bis(3-methoxypropyl)-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenoxy]acetic acid

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
Mycobacterium tuberculosis Conserved protein 0.0024 0.0162 0.5039
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0098 0.0171
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0098 0.0171
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Entamoeba histolytica hypothetical protein 0.0071 0.0753 0.659
Brugia malayi steroid hormone receptor 0.002 0.011 0.0144
Echinococcus multilocularis geminin 0.0166 0.1944 0.1944
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1022 0.1496
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0122 0.0122
Trypanosoma cruzi metacaspase, putative 0.0043 0.0405 0.0783
Echinococcus granulosus caspase 3 0.0071 0.0755 0.1116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0433 0.064
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0122 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0025 0.0025
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0315 0.0387
Echinococcus granulosus FTZ F1 alpha 0.002 0.011 0.0162
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0315 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0433 0.0433
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0025 0.0025
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0122 0.0219
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0104
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0411 0.0796
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.1092 0.1599
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0043 0.0405 0.0582
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.011 0.011
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.0162 0.0692
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0122 0.0256
Trypanosoma brucei unspecified product 0.0019 0.0098 0.0171
Schistosoma mansoni hypothetical protein 0.0302 0.3646 0.5389
Echinococcus granulosus caspase 2 0.0084 0.0911 0.1347
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0315 0.2347
Plasmodium vivax topoisomerase I, putative 0.055 0.6764 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.011 0.0144
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0405 0.0521
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.011 0.011
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0098 0.2027
Echinococcus granulosus expressed conserved protein 0.0092 0.1017 0.1504
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0315 0.2182
Schistosoma mansoni caspase-7 (C14 family) 0.0084 0.0911 0.1347
Echinococcus granulosus apoptotic protease activating factor 1 0.004 0.0368 0.0543
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.162 0.162
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2768 0.2768
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0098 0.2027
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0433 0.0433
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0055 0.0064
Schistosoma mansoni hypothetical protein 0.0041 0.037 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.011 0.0144
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1022 0.1511
Onchocerca volvulus 0.0024 0.0157 0.0525
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.011 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0115 0.1299 0.192
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144
Mycobacterium ulcerans hypothetical protein 0.0024 0.0157 0.4794
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0162 0.0299
Schistosoma mansoni thyroid hormone receptor 0.002 0.011 0.0162
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.011 0.011
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0753 0.1113
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0104
Loa Loa (eye worm) hypothetical protein 0.004 0.0368 0.0526
Loa Loa (eye worm) inositol-1 0.0036 0.0315 0.0449
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0122 0.0099
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0162 0.0299
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144
Echinococcus multilocularis snurportin 1 0.0302 0.3646 0.3646
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0138 0.1596 0.3156
Schistosoma mansoni hypothetical protein 0.0166 0.1944 0.2874
Brugia malayi Steroid receptor seven-up type 2 0.002 0.011 0.0144
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0171 0.0172
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0055 0.0055
Echinococcus granulosus DNA topoisomerase 1 0.055 0.6764 1
Echinococcus multilocularis caspase 3 0.0071 0.0755 0.0755
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0157 0.0289
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1022 0.2013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0433 0.064
Schistosoma mansoni DNA topoisomerase type I 0.055 0.6764 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0171 0.0172
Trypanosoma cruzi metacaspase, putative 0.0043 0.0405 0.0783
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0098 0.0145
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0148 0.0272
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0148 0.0543
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0157 0.0595
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.011 0.0144
Trichomonas vaginalis ran, putative 0.0021 0.0122 0.0256
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0157 0.4794
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0389 0.0575
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0098 0.0127
Trypanosoma brucei metacaspase MCA2 0.0043 0.0405 0.0783
Echinococcus multilocularis protein dispatched 1 0.0048 0.0464 0.0464
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0055 0.0055
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.011 0.011
Echinococcus multilocularis caspase 0.0115 0.1299 0.1299
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.011 0.0162
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1329 0.195
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0405 0.3318
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0216 0.0216
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.011 0.0144
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0157 0.0595
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.011 0.0144
Loa Loa (eye worm) hypothetical protein 0.0024 0.0157 0.0215
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Entamoeba histolytica hypothetical protein 0.0023 0.0148 0.0505
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0098 0.0098
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0412 0.503 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0162 0.5039
Echinococcus multilocularis caspase 8 0.0043 0.0405 0.0405
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Loa Loa (eye worm) hypothetical protein 0.0044 0.0411 0.0591
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.011 0.0162
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0138 0.1596 0.3156
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.011 0.0162
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0043 0.0405 0.0599
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Schistosoma mansoni hypothetical protein 0.0041 0.037 0.0547
Echinococcus multilocularis caspase 2 0.0084 0.0911 0.0911
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0098 0.0145
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0315 0.0466
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0055 0.0055
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.011 0.0162
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.011 0.0162
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0157 0.4794
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.007 0.0714
Brugia malayi Cell death protein 3 precursor 0.0084 0.0911 0.1332
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0315 0.0604
Loa Loa (eye worm) hypothetical protein 0.0251 0.3012 0.4443
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.011 0.0144
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0248 0.047
Loa Loa (eye worm) hypothetical protein 0.0084 0.0911 0.1332
Schistosoma mansoni ran 0.0021 0.0122 0.018
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0098 0.2841
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0753 0.1113
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.162 0.2395
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Schistosoma mansoni survival motor neuron protein 0.0047 0.0454 0.0671
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0098 0.0127
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1022 0.2013
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0098 0.1092 0.1599
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0122 0.0219
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.011 0.0162
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0157 0.0215
Schistosoma mansoni thyroid hormone receptor 0.002 0.011 0.0162
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0171 0.0316
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1022 0.1511
Brugia malayi hypothetical protein 0.004 0.0368 0.0526
Mycobacterium ulcerans hypothetical protein 0.0024 0.0162 0.4952
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.011 0.0162
Plasmodium falciparum importin beta, putative 0.0028 0.0216 0.0239
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0433 0.0623
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.011 0.011
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0115 0.1299 0.1299
Trypanosoma brucei metacaspase 5, putative 0.0043 0.0405 0.0783
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0315 0.2347
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0055 0.0086
Schistosoma mansoni coup transcription factor 0.002 0.011 0.0162
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.011 0.0144
Echinococcus granulosus geminin 0.0166 0.1944 0.2874
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0157 0.0215
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0248 0.0287
Schistosoma mansoni hypothetical protein 0.0071 0.0753 0.1113
Trypanosoma brucei metacaspase 0.0043 0.0405 0.0783
Leishmania major GTP-binding protein, putative 0.0021 0.0122 0.0219
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.011 0.0144
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0433 0.0623
Brugia malayi hypothetical protein 0.0232 0.2768 0.4082
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0162 0.4952
Brugia malayi CHE-14 protein 0.0042 0.0389 0.0558
Schistosoma mansoni inositol monophosphatase 0.0036 0.0315 0.0466
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0405 0.3318
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0162 0.4952
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.011 0.0162
Leishmania major importin beta-1 subunit, putative 0.0023 0.0148 0.0272
Entamoeba histolytica Ran family GTPase 0.0021 0.0122 0.0238
Loa Loa (eye worm) DNA topoisomerase I 0.055 0.6764 1
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.011 0.0144
Loa Loa (eye worm) hypothetical protein 0.0024 0.0157 0.0215
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.011 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.011 0.0144
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1022 0.2013
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.011 0.0162
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.011 0.0144
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1329 0.195
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0389 0.0575
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0753 0.0753
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0098 0.0145
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0157 0.0289
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0268 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0157 0.4794
Trypanosoma cruzi metacaspase, putative 0.0043 0.0405 0.0783
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.011 0.0144
Leishmania major DNA polymerase eta, putative 0.0031 0.0248 0.047
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.011 0.0144
Schistosoma mansoni importin beta-1 0.0028 0.0216 0.0319
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.011 0.0162
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2768 0.4093
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0098 0.0171
Entamoeba histolytica hypothetical protein 0.0071 0.0753 0.659
Plasmodium vivax metacaspase 1, putative 0.0043 0.0405 0.0521
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.1092 1
Schistosoma mansoni caspase-7 (C14 family) 0.0115 0.1299 0.192
Brugia malayi ecdysteroid receptor 0.002 0.011 0.0144
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0405 0.3318
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0436 0.3654
Trypanosoma cruzi hypothetical protein, conserved 0.0208 0.2477 0.4911
Schistosoma mansoni nuclear hormone receptor 0.002 0.011 0.0162
Giardia lamblia Kinase, PLK 0.0093 0.1022 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.011 0.0144
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0082 0.0041
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.011 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Brugia malayi isocitrate dehydrogenase 0.0015 0.0055 0.0064
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.0405 0.0783
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0216 0.0405
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0122 0.018
Trypanosoma brucei unspecified product 0.0013 0.0025 0.0025
Trypanosoma brucei unspecified product 0.0013 0.0025 0.0025
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0082 0.1284
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.011 0.0162
Schistosoma mansoni ran 0.0021 0.0122 0.018
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0157 0.0595
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0082 0.5
Echinococcus multilocularis DNA topoisomerase 1 0.055 0.6764 0.6764
Onchocerca volvulus Cell death protein 3 homolog 0.0084 0.0911 0.8784
Loa Loa (eye worm) hypothetical protein 0.0042 0.0389 0.0558
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0315 0.0604
Mycobacterium ulcerans hypothetical protein 0.0024 0.0162 0.4952
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0405 0.0521
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0315 0.0604
Brugia malayi nuclear receptor NHR-88 0.002 0.011 0.0144
Brugia malayi MH2 domain containing protein 0.0117 0.1329 0.195
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0055 0.0086
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.011 0.0162
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0405 0.0521
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Leishmania major DNA topoisomerase type IB small subunit 0.0138 0.1596 0.3156
Plasmodium falciparum metacaspase 1 0.0043 0.0405 0.0521
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0268 1
Schistosoma mansoni DNA topoisomerase type I 0.0412 0.503 0.7436
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.0405 0.0783
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0055 0.0086
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.011 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0098 0.0171
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0104
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.1092 0.1092
Echinococcus granulosus importin subunit beta 1 0.0028 0.0216 0.0319
Brugia malayi nuclear hormone receptor 0.002 0.011 0.0144
Schistosoma mansoni patched 1 0.0042 0.0389 0.0575
Trypanosoma brucei polo-like protein kinase 0.0093 0.1022 0.2013
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0436 0.3654
Brugia malayi photoreceptor-specific nuclear receptor 0.0251 0.3012 0.4443
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0405 0.3318
Brugia malayi RNA, U transporter 1 0.008 0.0869 0.1269
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0055 0.0055
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0315 0.0315
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Echinococcus multilocularis protein patched 0.0042 0.0389 0.0389
Echinococcus granulosus dna polymerase kappa 0.0019 0.0098 0.0145
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0148 0.0543
Leishmania major metacaspase, putative 0.0043 0.0405 0.0783
Schistosoma mansoni hypothetical protein 0.0041 0.037 0.0547
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0405 0.0521
Echinococcus multilocularis expressed conserved protein 0.0092 0.1017 0.1017
Trypanosoma cruzi hypothetical protein, conserved 0.0208 0.2477 0.4911
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.1092 0.1614
Echinococcus granulosus caspase 0.0115 0.1299 0.192
Loa Loa (eye worm) hypothetical protein 0.0043 0.0405 0.0582
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0162 0.024
Trypanosoma brucei hypothetical protein, conserved 0.0208 0.2477 0.4911
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0157 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.011 0.0144
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0157 0.4794
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0055 0.0082
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0162 0.0162
Entamoeba histolytica hypothetical protein 0.0071 0.0753 0.659
Echinococcus multilocularis dna polymerase eta 0.0044 0.0411 0.0411
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0082 0.0041
Schistosoma mansoni DNA polymerase eta 0.0044 0.0411 0.0608
Schistosoma mansoni inositol monophosphatase 0.0036 0.0315 0.0466
Schistosoma mansoni hypothetical protein 0.0041 0.037 0.0547
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0157 0.4794
Schistosoma mansoni caspase-3 (C14 family) 0.0115 0.1299 0.192
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0454 0.0654
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0157 0.4814
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0171 0.0316
Plasmodium falciparum topoisomerase I 0.055 0.6764 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0315 1
Echinococcus granulosus dna polymerase eta 0.0044 0.0411 0.0608
Echinococcus multilocularis apoptotic protease activating factor 1 0.004 0.0368 0.0368
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0216 0.0239
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0157 0.4794
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.011 0.0162
Loa Loa (eye worm) steroid hormone receptor 0.002 0.011 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.011 0.0144
Loa Loa (eye worm) hypothetical protein 0.0024 0.0157 0.0215
Brugia malayi hypothetical protein 0.0071 0.0753 0.1097
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1111 0.1642
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0122 0.0099
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.011 0.0162
Trypanosoma brucei metacaspase MCA3 0.0043 0.0405 0.0783
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0122 0.0162
Brugia malayi Inositol-1 0.0036 0.0315 0.0449
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0157 0.0289
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0098 0.0098
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.007 0.0714
Schistosoma mansoni hypothetical protein 0.0166 0.1944 0.2874
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0389 0.0558
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0047 0.0454 0.0671
Loa Loa (eye worm) hypothetical protein 0.0028 0.0216 0.0301
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0104
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.011 0.0162
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0162 0.0299
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1022 0.9299
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0389 0.3149
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.011 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.011 0.0144
Trypanosoma cruzi metacaspase, putative 0.0043 0.0405 0.0783
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.011 0.0144
Brugia malayi hypothetical protein 0.0016 0.0061 0.0072
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0157 0.4794
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0055 0.0086
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.007 0.0714
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0411 0.0591
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0055 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0411 0.0796
Leishmania major DNA polymerase eta, putative 0.0044 0.0411 0.0796
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0315 0.2347
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0389 0.0389
Echinococcus multilocularis FTZ F1 alpha 0.002 0.011 0.011
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0412 0.503 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0235
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0148 0.0543
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0162 0.4952
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0171 0.0316
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1022 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0315 0.0604
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0055 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.3646 0.5381
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Trypanosoma brucei Metacaspase-4 0.0043 0.0405 0.0783
Leishmania major hypothetical protein, conserved 0.0025 0.0171 0.0316
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0171 0.0172
Plasmodium vivax importin-beta 2, putative 0.0028 0.0216 0.0239
Leishmania major DNA topoisomerase IB, large subunit 0.0412 0.503 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0098 0.0171
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0216 0.0405
Leishmania major hypothetical protein, conserved 0.0208 0.2477 0.4911
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0098 0.2841
Toxoplasma gondii DNA topoisomerase I, putative 0.055 0.6764 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0508 0.0734
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0433 0.064
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0122 0.0219
Loa Loa (eye worm) hypothetical protein 0.0232 0.2768 0.4082
Onchocerca volvulus 0.004 0.0368 0.2826
Brugia malayi hypothetical protein 0.0025 0.0171 0.0235
Plasmodium falciparum metacaspase-like protein 0.0043 0.0405 0.0521
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0157 0.4814
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0405 0.3318
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0171 0.0172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0433 0.064
Schistosoma mansoni kinase 0.0047 0.0451 0.0667
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0082 0.232
Schistosoma mansoni hypothetical protein 0.004 0.0368 0.0543
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.007 0.0714
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0405 0.3318
Brugia malayi Importin beta-1 subunit 0.0028 0.0216 0.0301
Onchocerca volvulus 0.0047 0.0454 0.3774
Brugia malayi DNA topoisomerase I 0.055 0.6764 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0405 0.3318
Echinococcus granulosus snurportin 1 0.0302 0.3646 0.5389
Schistosoma mansoni DNA topoisomerase type I 0.0412 0.503 0.7436
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0055 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.011 0.0144
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0122 0.0099
Entamoeba histolytica hypothetical protein 0.0071 0.0753 0.659
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.011 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1022 1
Echinococcus granulosus caspase 8 0.0043 0.0405 0.0599
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.011 0.011
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1022 0.1496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0433 0.064
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0144

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 9 % Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cells at 0.1 uM ChEMBL. 16392813
Inhibition (binding) = 9 % Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cells at 0.1 uM ChEMBL. 16392813
Inhibition (binding) = 10 % Displacement of [3H]DPCPX from recombinant human adenosine A2B receptor expressed in HeLa cells at 0.01 uM ChEMBL. 16392813
Inhibition (binding) = 10 % Displacement of [3H]DPCPX from recombinant human adenosine A2B receptor expressed in HeLa cells at 0.01 uM ChEMBL. 16392813
Inhibition (binding) = 12 % Displacement of [3H]DPCPX from recombinant human adenosine A2B receptor expressed in HEK293 cells at 0.1 uM ChEMBL. 16392813
Inhibition (binding) = 12 % Displacement of [3H]DPCPX from recombinant human adenosine A2B receptor expressed in HEK293 cells at 0.1 uM ChEMBL. 16392813

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

1 literature reference was collected for this gene.

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