Detailed information for compound 51645

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.957 | Formula: C26H28ClNO5
  • H donors: 2 H acceptors: 2 LogP: 5.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cc(cc1OC)CC1N(CCc2c1cc(O)c(c2)O)Cc1ccc(cc1)Cl
  • InChi: 1S/C26H28ClNO5/c1-31-24-11-17(12-25(32-2)26(24)33-3)10-21-20-14-23(30)22(29)13-18(20)8-9-28(21)15-16-4-6-19(27)7-5-16/h4-7,11-14,21,29-30H,8-10,15H2,1-3H3
  • InChiKey: BPHOOXIZXXCSFL-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0257 0.035
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.016 0.1418 0.1418
Onchocerca volvulus 0.0144 0.1256 0.2838
Schistosoma mansoni glycogen phosphorylase 0.0109 0.0901 0.132
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0162 0.019
Echinococcus multilocularis survival motor neuron protein 1 0.0707 0.6989 1
Echinococcus multilocularis geminin 0.0683 0.6743 0.9646
Trichomonas vaginalis thymidylate kinase, putative 0.0285 0.2693 0.2671
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0141 0.0137
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0171 0.0171
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0338 0.0443
Leishmania major thymidine kinase, putative 0.1003 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.015 0.0204
Brugia malayi MH2 domain containing protein 0.0119 0.0995 0.1387
Giardia lamblia Glycogen phosphorylase 0.0109 0.0901 0.0874
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0105 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Toxoplasma gondii thymidylate kinase 0.0285 0.2693 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.2134 0.3011
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0171 0.0031
Schistosoma mansoni thymidine kinase 0.05 0.4876 0.7226
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0363 0.0335
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.0901 0.1273
Schistosoma mansoni hypothetical protein 0.0037 0.0162 0.0221
Brugia malayi hypothetical protein 0.0448 0.4351 0.6209
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.016 0.1418 0.5074
Leishmania major cytidine deaminase-like protein 0.0056 0.0355 0.0326
Schistosoma mansoni transcription factor btf3 0.0035 0.0141 0.019
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0133 0.0172
Loa Loa (eye worm) hypothetical protein 0.0046 0.0257 0.0309
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.015 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0089 0.006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.015 0.0196
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.0269 0.013
Schistosoma mansoni lamin 0.0054 0.0338 0.0482
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.015 0.0196
Brugia malayi hypothetical protein 0.0049 0.0285 0.0368
Leishmania major thymidylate kinase-like protein 0.0285 0.2693 0.2671
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0057 0.0363 0.0335
Echinococcus multilocularis Protein lozenge 0.0056 0.0359 0.0496
Mycobacterium ulcerans thymidylate kinase 0.0285 0.2693 1
Schistosoma mansoni hypothetical protein 0.0071 0.0512 0.0741
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0386 0.0534
Schistosoma mansoni intermediate filament proteins 0.0054 0.0338 0.0482
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0363 0.0335
Brugia malayi beta-NAC-like protein 0.0035 0.0141 0.016
Schistosoma mansoni hypothetical protein 0.0208 0.191 0.2819
Loa Loa (eye worm) hypothetical protein 0.0053 0.0328 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0145 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.015 0.0173
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0105 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1246 0.1832
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0105 0.0284
Schistosoma mansoni thyroid hormone receptor 0.0167 0.1483 0.2185
Echinococcus multilocularis thymidine kinase 0.05 0.4876 0.697
Loa Loa (eye worm) hypothetical protein 0.0038 0.0172 0.0186
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.015 0.0196
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0357 0.3426 0.4892
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.015 0.0155
Echinococcus multilocularis thymidine kinase 0.05 0.4876 0.697
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0056 0.0355 0.1222
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0085 0.0085
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.015 0.0196
Onchocerca volvulus 0.0056 0.0355 0.0753
Loa Loa (eye worm) TAR-binding protein 0.0132 0.1128 0.1563
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0024
Onchocerca volvulus 0.0233 0.2163 0.4938
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0147 0.0193
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0053 0.0057
Echinococcus granulosus lamin 0.0054 0.0338 0.0465
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.015 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Echinococcus granulosus glycogen phosphorylase 0.0109 0.0901 0.1273
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.015 0.0173
Echinococcus granulosus thymidine kinase 0.05 0.4876 0.697
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0238 0.0209
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.015 0.0196
Echinococcus multilocularis lamin 0.0054 0.0338 0.0465
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0559 0.1755
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0257 0.0363
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.1246 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.015 0.0173
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0122 0.0347
Echinococcus multilocularis musashi 0.0054 0.0338 0.0465
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0057 0.0363 0.1253
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.015 0.0279
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.015 0.0173
Leishmania major basic transcription factor 3a, putative 0.0035 0.0141 0.0111
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.0085 0.0085
Echinococcus multilocularis tar DNA binding protein 0.0132 0.1128 0.1599
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0335 0.0439
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0995 0.1371
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.1246 0.1732
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1128 0.1657
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.015 0.0196
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.1128 0.1579
Leishmania major hypothetical protein, conserved 0.0076 0.0559 0.0531
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0105 0.0109
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0146 0.0116
Schistosoma mansoni ap endonuclease 0.0057 0.0363 0.0521
Schistosoma mansoni lamin 0.0054 0.0338 0.0482
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Schistosoma mansoni ap endonuclease 0.0057 0.0363 0.0521
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.112 0.1587
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0105 0.0076
Loa Loa (eye worm) hypothetical protein 0.0707 0.6989 1
Schistosoma mansoni lozenge 0.0056 0.0359 0.0515
Schistosoma mansoni hypothetical protein 0.0683 0.6743 1
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0357 0.3426 0.4892
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.015 0.0173
Treponema pallidum thymidylate kinase (tmk) 0.0285 0.2693 1
Mycobacterium ulcerans thymidylate synthase 0.016 0.1418 0.4946
Schistosoma mansoni glycogen phosphorylase 0.0047 0.0269 0.038
Echinococcus multilocularis transfer RNA-Ile 0.05 0.4876 0.697
Onchocerca volvulus 0.016 0.1418 0.3213
Entamoeba histolytica hypothetical protein 0.0071 0.0512 0.0377
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0056 0.0027
Echinococcus granulosus solute carrier family 28 0.0357 0.3426 0.4892
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.0559 0.1815
Loa Loa (eye worm) runx1 0.0056 0.0359 0.0456
Trypanosoma cruzi thymidine kinase, putative 0.1003 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0238 0.0209
Echinococcus granulosus lamin dm0 0.0054 0.0338 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0145 0.0116
Loa Loa (eye worm) hypothetical protein 0.0037 0.0162 0.0171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.003 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.015 0.0173
Trypanosoma cruzi thymidylate kinase, putative 0.0285 0.2693 0.2671
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.015 0.0204
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.015 0.0196
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0238 0.0322
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.015 0.0204
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.015 0.0196
Brugia malayi Pre-SET motif family protein 0.0029 0.0086 0.0081
Brugia malayi steroid hormone receptor 0.0036 0.015 0.0173
Mycobacterium tuberculosis Hypothetical protein 0.0076 0.0563 0.1769
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0056 0.0027
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.015 0.0173
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0141 0.0141
Brugia malayi follicle stimulating hormone receptor 0.0231 0.2134 0.3024
Trypanosoma brucei unspecified product 0.0029 0.0085 0.0085
Echinococcus multilocularis ribonuclease H1 0.0024 0.003 0.0024
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0238 0.0098
Giardia lamblia Thymidine kinase 0.1003 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0238 0.0334
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1128 0.1657
Schistosoma mansoni bromodomain containing protein 0.0062 0.0422 0.0607
Echinococcus granulosus tar DNA binding protein 0.0132 0.1128 0.1599
Echinococcus granulosus geminin 0.0683 0.6743 0.9646
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.0901 0.0771
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0105 0.0073
Mycobacterium ulcerans cytidine deaminase 0.0056 0.0355 0.0731
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Schistosoma mansoni survival motor neuron protein 0.0144 0.1256 0.1847
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.015 0.0155
Brugia malayi hypothetical protein 0.0076 0.0559 0.0761
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0057 0.0363 0.0335
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1128 0.1657
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0171 0.053
Onchocerca volvulus 0.0036 0.015 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0145 0.0116
Echinococcus granulosus thymidylate synthase 0.016 0.1418 0.2014
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.1418 0.5214
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.016 0.1418 0.511
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0105 0.0132
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.015 0.0204
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0144 0.1256 0.1762
Trypanosoma cruzi thymidine kinase, putative 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0056 0.0027
Schistosoma mansoni nuclear hormone receptor 0.0036 0.015 0.0204
Schistosoma mansoni coup transcription factor 0.0036 0.015 0.0204
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.112 0.1587
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0075 0.0089
Echinococcus granulosus ribonuclease H1 0.0024 0.003 0.0024
Loa Loa (eye worm) hypothetical protein 0.0448 0.4351 0.6202
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.015 0.0173
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0238 0.0209
Schistosoma mansoni inositol monophosphatase 0.0038 0.0171 0.0235
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0238 0.0299
Loa Loa (eye worm) thymidylate synthase 0.016 0.1418 0.198
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0141 0.0417
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0131 0.0098
Echinococcus multilocularis cytidine deaminase 0.0056 0.0355 0.049
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Echinococcus multilocularis solute carrier family 28 0.0357 0.3426 0.4892
Trypanosoma brucei thymidylate kinase, putative 0.0285 0.2693 0.2693
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.0901 0.0874
Trichomonas vaginalis cytidine deaminase, putative 0.0056 0.0355 0.0326
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.0269 0.013
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0171 0.0226
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0056 0.0355 0.0877
Trypanosoma brucei thymidine kinase 0.1003 1 1
Trypanosoma brucei ribonuclease H1 0.0024 0.003 0.003
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0233 0.216 0.3078
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0285 0.2693 1
Entamoeba histolytica hypothetical protein 0.0071 0.0512 0.0377
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.015 0.0196
Trichomonas vaginalis cytidine deaminase, putative 0.0056 0.0355 0.0326
Schistosoma mansoni thyroid hormone receptor 0.0167 0.1483 0.2185
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0141 0.0111
Loa Loa (eye worm) thymidylate kinase 0.0285 0.2693 0.3815
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0995 0.1371
Trypanosoma cruzi cytidine deaminase-like protein 0.0056 0.0355 0.0326
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0057 0.0363 0.0335
Brugia malayi cytidine deaminase, identical 0.0056 0.0355 0.0468
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1128 0.1657
Schistosoma mansoni phosphoglucomutase 0.0024 0.003 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Echinococcus granulosus thymidine kinase 0.05 0.4876 0.697
Brugia malayi hypothetical protein 0.0707 0.6989 1
Giardia lamblia Deoxynucleoside kinase 0.0391 0.3773 0.3755
Brugia malayi nuclear receptor NHR-88 0.0036 0.015 0.0173
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.0269 0.0388
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0171 0.0142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1246 0.1767
Onchocerca volvulus 0.0448 0.4351 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0335 0.0439
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0057 0.0363 0.0335
Echinococcus multilocularis thymidylate synthase 0.016 0.1418 0.2014
Brugia malayi nuclear hormone receptor 0.0036 0.015 0.0173
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0512 0.0741
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0105 0.0137
Echinococcus multilocularis transcription factor btf3 0.0035 0.0141 0.0183
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.015 0.0204
Chlamydia trachomatis thymidylate kinase 0.0285 0.2693 1
Brugia malayi ecdysteroid receptor 0.0036 0.015 0.0173
Trypanosoma brucei RNA helicase, putative 0.0238 0.2215 0.2215
Brugia malayi exodeoxyribonuclease III family protein 0.0057 0.0363 0.0479
Loa Loa (eye worm) RNA binding protein 0.0132 0.1128 0.1563
Echinococcus multilocularis lamin dm0 0.0054 0.0338 0.0465
Toxoplasma gondii exonuclease III APE 0.0057 0.0363 0.1253
Schistosoma mansoni hypothetical protein 0.0034 0.0133 0.0179
Loa Loa (eye worm) hypothetical protein 0.0076 0.0559 0.0744
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0133 0.0172
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.015 0.0196
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.0901 0.0874
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0171 0.0142
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0238 0.0281
Brugia malayi Inositol-1 0.0038 0.0171 0.0203
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0057 0.0363 0.0763
Brugia malayi Bromodomain containing protein 0.0074 0.0539 0.0732
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0105 0.0284
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.016 0.1418 0.1393
Schistosoma mansoni phosphoglucomutase 0.0024 0.003 0.0025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0257 0.0363
Schistosoma mansoni inositol monophosphatase 0.0038 0.0171 0.0235
Trypanosoma brucei cytidine deaminase 0.0056 0.0355 0.0355
Plasmodium vivax thymidylate kinase, putative 0.0285 0.2693 1
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0141 0.0141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0079 0.005
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0146 0.0116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0335 0.0421
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.015 0.0155
Echinococcus granulosus Glycosyl transferase family 35 0.0109 0.0901 0.1273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.015 0.0279
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0086 0.0105
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0057 0.0363 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.015 0.0155
Echinococcus granulosus glycogen phosphorylase 0.0109 0.0901 0.1273
Entamoeba histolytica hypothetical protein 0.0071 0.0512 0.0377
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0285 0.2693 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0147 0.0193
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2163 0.214
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.05 0.4876 0.697
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0112 0.0927 0.09
Schistosoma mansoni glycogen phosphorylase 0.0109 0.0901 0.132
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0056 0.0355 0.0966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0145 0.0116
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.0085 0.0085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.015 0.0155
Loa Loa (eye worm) hypothetical protein 0.0448 0.4351 0.6202
Onchocerca volvulus 0.0054 0.0338 0.0713
Schistosoma mansoni hypothetical protein 0.0238 0.2215 0.3273
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0082 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0141 0.0111
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.0559 0.1989
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0238 0.0209
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0105 0.0105
Schistosoma mansoni hypothetical protein 0.0131 0.112 0.1645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0145 0.0116
Entamoeba histolytica Thymidylate kinase, putative 0.0285 0.2693 0.2589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1246 0.1832
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.015 0.0173
Schistosoma mansoni hypothetical protein 0.0144 0.1256 0.1847
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0105 0.0105
Echinococcus multilocularis Glycosyl transferase, family 35 0.0109 0.0901 0.1273
Brugia malayi hypothetical protein 0.0076 0.0563 0.0766
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1246 0.1767
Entamoeba histolytica cytidine deaminase, putative 0.0056 0.0355 0.0218
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0363 0.0998
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.015 0.0173
Leishmania major dihydrofolate reductase-thymidylate synthase 0.016 0.1418 0.1393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.015 0.0155
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.015 0.0196
Schistosoma mansoni hypothetical protein 0.0683 0.6743 1
Schistosoma mansoni thymidylate kinase 0.0285 0.2693 0.3982
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0238 0.0209
Loa Loa (eye worm) inositol-1 0.0038 0.0171 0.0185
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0086 0.0213
Echinococcus granulosus thymidylate kinase 0.0285 0.2693 0.3841
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.1418 0.2088
Loa Loa (eye worm) hypothetical protein 0.0054 0.0338 0.0425
Entamoeba histolytica glycogenphosphorylase, putative 0.0047 0.0269 0.013
Trichomonas vaginalis thymidylate kinase, putative 0.0285 0.2693 0.2671
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.015 0.0173
Echinococcus multilocularis thymidylate kinase 0.0285 0.2693 0.3841
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0105 0.0132
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.015 0.0196
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.015 0.0196
Brugia malayi Bromodomain containing protein 0.0038 0.0171 0.0203
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.0901 0.1273
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0171 0.0142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.015 0.0155
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.0269 0.0632
Giardia lamblia CDC8 0.0285 0.2693 0.2671
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.015 0.0196
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.016 0.1418 0.5025
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0512 0.0715
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0357 0.3426 0.4892
Leishmania major hypothetical protein, conserved 0.0112 0.0927 0.09
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0086 0.0109
Plasmodium falciparum thymidylate kinase 0.0285 0.2693 1
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0056 0.0355 0.0326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.003 0.0001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1246 0.1767
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0076 0.0563 0.0535
Onchocerca volvulus 0.0056 0.0355 0.0753
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0082 0.0057
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0171 0.0226
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0238 0.0238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.003 0.0001
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0559 0.0531
Brugia malayi PHD-finger family protein 0.0025 0.0037 0.001
Loa Loa (eye worm) glycogen phosphorylase 0.0109 0.0901 0.1236
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0105 0.0132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1246 0.1832
Giardia lamblia GTOR 0.0044 0.0238 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.015 0.0173
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0238 0.0322
Giardia lamblia Cytidine deaminase 0.0056 0.0355 0.0326
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0146 0.0146
Brugia malayi intermediate filament protein 0.0054 0.0338 0.0443
Treponema pallidum exodeoxyribonuclease (exoA) 0.0057 0.0363 0.1253
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0559 0.0531
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0057 0.0363 0.0462
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.015 0.0173
Brugia malayi thymidylate kinase 0.0285 0.2693 0.3826
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.022
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0171 0.0142
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.1128 0.1563
Trypanosoma cruzi thymidylate kinase, putative 0.0285 0.2693 0.2671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0238 0.0209
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.015 0.0204
Schistosoma mansoni phosphoglucomutase 0.0024 0.003 0.0025
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0386 0.0534
Onchocerca volvulus 0.0054 0.0338 0.0713
Trypanosoma brucei thymidylate kinase, putative 0.0285 0.2693 0.2693
Brugia malayi RNA binding protein 0.0132 0.1128 0.1579
Trichomonas vaginalis thymidine kinase, putative 0.1003 1 1
Echinococcus granulosus transcription factor btf3 0.0035 0.0141 0.0183
Loa Loa (eye worm) hypothetical protein 0.007 0.0496 0.0653
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0141 0.0209
Trichomonas vaginalis thymidine kinase, putative 0.1003 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.015 0.0204
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0141 0.0111
Loa Loa (eye worm) hypothetical protein 0.0042 0.0215 0.0248
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0338 0.0425
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0563 0.0535
Brugia malayi Pre-SET motif family protein 0.0205 0.1875 0.2651
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0086 0.0109
Brugia malayi TAR-binding protein 0.0132 0.1128 0.1579
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0141 0.0111
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0057 0.0363 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0141 0.0111
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0105 0.0076
Echinococcus granulosus cytidine deaminase 0.0056 0.0355 0.049
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0057 0.0363 0.0502
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0559 0.1755
Onchocerca volvulus Glycogen phosphorylase homolog 0.0109 0.0901 0.2017
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0057 0.0363 0.0502
Schistosoma mansoni thymidylate kinase 0.0285 0.2693 0.3982
Schistosoma mansoni hypothetical protein 0.0285 0.2693 0.3982
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0053 0.0057
Brugia malayi isocitrate dehydrogenase 0.0031 0.0105 0.0109
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0338 0.0425
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.1875 0.2638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.015 0.0196
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0171 0.0142
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0105 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0122 0.0093
Brugia malayi thymidylate synthase 0.016 0.1418 0.1995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.003 0.0001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1246 0.1767
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0512 0.0715
Echinococcus granulosus FTZ F1 alpha 0.0036 0.015 0.0196
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0238 0.0238
Onchocerca volvulus Putative thymidylate kinase 0.0285 0.2693 0.6163
Echinococcus granulosus intermediate filament protein 0.0054 0.0338 0.0465
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.015 0.0279
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0105 0.0132
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0024
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0057 0.0363 0.0998
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0238 0.0098
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0285 0.2693 1
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.015 0.0173
Trichomonas vaginalis thymidine kinase, putative 0.1003 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0167 0.1483 0.2108
Onchocerca volvulus 0.0029 0.0086 0.0131
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0171 0.0142
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.1418 0.5074
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0029 0.0085 0.0085
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0105 0.0076
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0257 0.035
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.015 0.0173
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.015 0.0155
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0238 0.0209
Loa Loa (eye worm) hypothetical protein 0.0054 0.0335 0.0421
Entamoeba histolytica hypothetical protein 0.0071 0.0512 0.0377
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.0901 0.0771
Brugia malayi carbohydrate phosphorylase 0.0109 0.0901 0.1252
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.0559 0.0559
Brugia malayi hypothetical protein 0.0071 0.0512 0.0693
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.015 0.0204
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0112 0.0927 0.09
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.015 0.0196
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1128 0.1657
Echinococcus granulosus survival motor neuron protein 1 0.0707 0.6989 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0172 0.0143
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0171 0.053
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0363 0.1063

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 119.3 uM Inhibition of 0.5-0.7 microM of U-46,619 induced human platelet aggregation ChEMBL. 3397988
IC50 (functional) = 119.3 uM Inhibition of 0.5-0.7 microM of U-46,619 induced human platelet aggregation ChEMBL. 3397988
IC50 (functional) = 127.5 uM Inhibition of 0.5-0.7 microM of U-46,619 induced [14C]-5-HT secretion ChEMBL. 3397988
IC50 (functional) = 127.5 uM Inhibition of 0.5-0.7 microM of U-46,619 induced [14C]-5-HT secretion ChEMBL. 3397988
pD2 (functional) = 8.1 Inhibition of U-46,619-induced contraction of Rat thoracic aorta in the presence of indomethacin (control) ChEMBL. 3397988
pD2 (functional) = 8.09 uM Inhibition of U-46,619-induced contraction of Rat thoracic aorta in the presence of indomethacin, at conc 100 uM ChEMBL. 3397988

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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