Detailed information for compound 1231161

Basic information

Technical information
  • TDR Targets ID: 1231161
  • Name: 7-cyclopropyl-1,3-dimethyl-5-[2-oxo-2-(4-phen ylpiperazin-1-yl)ethyl]sulfanylpyrimido[5,6-e ]pyrimidine-2,4-dione
  • MW: 466.556 | Formula: C23H26N6O3S
  • H donors: 0 H acceptors: 5 LogP: 1.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)C1CC1
  • InChi: 1S/C23H26N6O3S/c1-26-20-18(22(31)27(2)23(26)32)21(25-19(24-20)15-8-9-15)33-14-17(30)29-12-10-28(11-13-29)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
  • InChiKey: ARCRUYNKVDROBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-cyclopropyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[5,6-e]pyrimidine-2,4-dione
  • 7-cyclopropyl-1,3-dimethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]pyrimido[5,6-e]pyrimidine-2,4-dione
  • 7-cyclopropyl-5-[[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]thio]-1,3-dimethyl-pyrimido[5,6-e]pyrimidine-2,4-quinone
  • MLS000102264
  • SMR000018002

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0103 0.0099
Trypanosoma brucei DNA polymerase eta, putative 0.0053 0.0419 0.109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.012 0.0213
Echinococcus multilocularis protein dispatched 1 0.0056 0.0451 0.0447
Echinococcus granulosus lamin dm0 0.003 0.0187 0.0232
Loa Loa (eye worm) hypothetical protein 0.0539 0.5447 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.012 0.0213
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Schistosoma mansoni hypothetical protein 0.0047 0.0361 0.0454
Loa Loa (eye worm) hypothetical protein 0.0114 0.1052 0.1926
Onchocerca volvulus 0.0113 0.1039 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0379 0.0376
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.1052 0.1049
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.012 0.0147
Leishmania major DNA polymerase eta, putative 0.0053 0.0419 0.0917
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0304 0.0382
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0025 0.0021
Brugia malayi hypothetical protein 0.0042 0.0304 0.0552
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.012 0.0213
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0121 0.0216
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0103 0.019
Schistosoma mansoni lamin 0.003 0.0187 0.0232
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0168 0.1615 0.4383
Schistosoma mansoni survival motor neuron protein 0.011 0.1011 0.1278
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.012 0.0213
Brugia malayi nuclear receptor NHR-88 0.0024 0.012 0.0213
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.012 0.0116
Mycobacterium ulcerans hypothetical protein 0.0187 0.1812 1
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.012 0.0147
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.012 0.0147
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.0121 0.0117
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0445 0.081
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.012 0.0213
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0187 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0109 0.0133
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0187 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.012 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.012 0.0213
Toxoplasma gondii hypothetical protein 0.0057 0.0467 1
Toxoplasma gondii exonuclease III APE 0.0022 0.0103 0.2204
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0445 0.056
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.012 0.0147
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0109 0.0217
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.012 0.0116
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0109 0.0017
Brugia malayi hypothetical protein 0.0539 0.5447 1
Trypanosoma brucei unspecified product 0.0023 0.0109 0.0207
Echinococcus multilocularis musashi 0.003 0.0187 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.012 0.0213
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0041 0.0069
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0028
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0109 0.0133
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0109 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.012 0.0213
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.012 0.0147
Brugia malayi ImpB/MucB/SamB family protein 0.0053 0.0419 0.0763
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0041 0.0069
Leishmania major mitochondrial DNA polymerase beta 0.0356 0.3554 1
Schistosoma mansoni cellular tumor antigen P53 0.0113 0.1039 0.1315
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.012 0.0116
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Entamoeba histolytica hypothetical protein 0.0042 0.0304 0.2893
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0379 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0121 0.0053
Echinococcus multilocularis lamin 0.003 0.0187 0.0183
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.0121 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.012 0.0213
Entamoeba histolytica hypothetical protein 0.0042 0.0304 0.2893
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0445 0.0441
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0109 0.0217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0445 0.0441
Echinococcus multilocularis protein patched 0.0049 0.0379 0.0376
Echinococcus multilocularis dna polymerase eta 0.0053 0.0419 0.0416
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.012 0.0147
Schistosoma mansoni intermediate filament proteins 0.003 0.0187 0.0232
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.1052 0.1331
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.012 0.0147
Echinococcus multilocularis lamin dm0 0.003 0.0187 0.0183
Brugia malayi CHE-14 protein 0.0049 0.0379 0.069
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0109 0.1036
Loa Loa (eye worm) hypothetical protein 0.0053 0.0419 0.0763
Brugia malayi ecdysteroid receptor 0.0024 0.012 0.0213
Echinococcus multilocularis expressed conserved protein 0.0107 0.0981 0.0977
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0356 0.3554 1
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.012 0.0213
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.012 0.0147
Brugia malayi intermediate filament protein 0.003 0.0187 0.0336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.012 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.012 0.0213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0445 0.056
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0103 0.0182
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0379 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.012 0.0213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0445 0.056
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0121 0.2596
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0109 0.0035
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0121 0.0053
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.012 0.0147
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.012 0.0147
Schistosoma mansoni coup transcription factor 0.0024 0.012 0.0147
Echinococcus multilocularis survival motor neuron protein 1 0.0539 0.5447 0.5445
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0304 0.0301
Schistosoma mansoni hypothetical protein 0.0047 0.0361 0.0454
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.012 0.0147
Echinococcus multilocularis tumor protein p63 0.077 0.7837 0.7837
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.1052 0.1926
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.012 0.0116
Schistosoma mansoni hypothetical protein 0.0047 0.0361 0.0454
Brugia malayi steroid hormone receptor 0.0024 0.012 0.0213
Onchocerca volvulus 0.011 0.1011 0.9686
Schistosoma mansoni hypothetical protein 0.0047 0.0361 0.0454
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0121 0.0243
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0061 0.0504 0.1163
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.0121 0.0149
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0257 0.5503
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0116 0.107 0.1354
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.012 0.0213
Trypanosoma brucei DNA polymerase beta thumb, putative 0.005 0.0391 0.101
Echinococcus multilocularis microtubule associated protein 2 0.0774 0.7879 0.7878
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.012 0.0213
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.012 0.0147
Echinococcus granulosus intermediate filament protein 0.003 0.0187 0.0232
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0025 0.0027
Onchocerca volvulus 0.003 0.0187 0.0725
Schistosoma mansoni DNA helicase recq1 0.0024 0.0121 0.0149
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0103 0.0979
Brugia malayi nuclear hormone receptor 0.0024 0.012 0.0213
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0121 0.0663
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0109 0.0017
Echinococcus granulosus Niemann Pick C1 protein 0.0163 0.1558 0.1973
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0121 0.0216
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Loa Loa (eye worm) intermediate filament protein 0.003 0.0187 0.0336
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0109 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0109 0.0193
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0121 0.0216
Schistosoma mansoni DNA polymerase eta 0.0053 0.0419 0.0528
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.012 0.0213
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0109 0.0105
Loa Loa (eye worm) hypothetical protein 0.0113 0.1039 0.1902
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.1052 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0445 0.081
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.0121 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.012 0.0147
Leishmania major DNA polymerase kappa, putative 0.0023 0.0109 0.0017
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0356 0.3554 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Echinococcus granulosus dna polymerase kappa 0.0023 0.0109 0.0133
Echinococcus granulosus bloom syndrome protein 0.0024 0.0121 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.012 0.0213
Loa Loa (eye worm) hypothetical protein 0.0049 0.0379 0.069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.012 0.0213
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0257 0.0447
Loa Loa (eye worm) hypothetical protein 0.006 0.0493 0.0899
Schistosoma mansoni lamin 0.003 0.0187 0.0232
Mycobacterium tuberculosis Conserved hypothetical protein 0.0187 0.1812 1
Echinococcus granulosus survival motor neuron protein 1 0.0539 0.5447 0.6911
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Echinococcus multilocularis Niemann Pick C1 protein 0.0163 0.1558 0.1554
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0109 0.0105
Loa Loa (eye worm) RecQ helicase 0.0024 0.0121 0.0216
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0109 0.0035
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0391 0.0835
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0103 0.0182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.012 0.0213
Schistosoma mansoni microtubule-associated protein tau 0.0774 0.7879 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0121 0.0216
Onchocerca volvulus 0.003 0.0187 0.0725
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0121 0.1153
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0103 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0121 1
Echinococcus granulosus microtubule associated protein 2 0.0774 0.7879 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0053 0.0419 0.0917
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0109 0.0017
Echinococcus granulosus lamin 0.003 0.0187 0.0232
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.012 0.0116
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0109 0.0133
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0121 0.0663
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0121 0.0663
Schistosoma mansoni hypothetical protein 0.0042 0.0304 0.0382
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.012 0.0213
Echinococcus granulosus expressed conserved protein 0.0107 0.0981 0.124
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.005 0.0391 0.0835
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0103 0.0126
Schistosoma mansoni DNA helicase recq5 0.0024 0.0121 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.012 0.0213
Loa Loa (eye worm) hypothetical protein 0.0015 0.0025 0.0038
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0103 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0109 0.0207
Schistosoma mansoni thyroid hormone receptor 0.0024 0.012 0.0147
Loa Loa (eye worm) hypothetical protein 0.003 0.0181 0.0325
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.011 0.1011 0.1849
Schistosoma mansoni nuclear hormone receptor 0.0024 0.012 0.0147
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0109 0.0207
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.0121 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.012 0.0213
Schistosoma mansoni ap endonuclease 0.0022 0.0103 0.0126
Echinococcus granulosus tumor protein p63 0.077 0.7837 0.9947
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.012 0.0213
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0103 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0109 0.327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0445 0.056
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.0121 0.0117
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.012 0.0116
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0356 0.3554 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0109 0.0035
Leishmania major DNA polymerase eta, putative 0.0037 0.0257 0.0447
Echinococcus granulosus dna polymerase eta 0.0053 0.0419 0.0528
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0109 0.0193
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.012 0.0147
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.012 0.0116
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.012 0.0147
Schistosoma mansoni patched 1 0.0049 0.0379 0.0477
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0445 0.056
Loa Loa (eye worm) hypothetical protein 0.003 0.0187 0.0336
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0379 0.0477
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0121 0.0117
Schistosoma mansoni hypothetical protein 0.011 0.1011 0.1278
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0168 0.1615 0.4383
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0379 0.069
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0109 0.0017
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.012 0.0147
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0109 0.0207
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0028
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0109 0.0207
Echinococcus granulosus FTZ F1 alpha 0.0477 0.4806 0.6098
Schistosoma mansoni ap endonuclease 0.0022 0.0103 0.0126
Schistosoma mansoni thyroid hormone receptor 0.0024 0.012 0.0147
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0121 0.2596
Loa Loa (eye worm) hypothetical protein 0.0024 0.0121 0.0216
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0304 0.0382
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.005 0.0391 0.0835
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.012 0.0213
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.012 0.0147
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0168 0.1615 0.449
Entamoeba histolytica hypothetical protein 0.0042 0.0304 0.2893
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.012 0.0116
Loa Loa (eye worm) hypothetical protein 0.0024 0.012 0.0213
Entamoeba histolytica hypothetical protein 0.0042 0.0304 0.2893

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2629 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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