Detailed information for compound 1295742

Basic information

Technical information
  • TDR Targets ID: 1295742
  • Name: N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4 -oxothieno[3,2-d]pyrimidin-3-yl]benzamide
  • MW: 444.57 | Formula: C21H24N4O3S2
  • H donors: 1 H acceptors: 3 LogP: 4.32 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)CCC
  • InChi: 1S/C21H24N4O3S2/c1-3-11-24(12-4-2)17(26)14-30-21-22-16-10-13-29-18(16)20(28)25(21)23-19(27)15-8-6-5-7-9-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27)
  • InChiKey: BSRPVHOXPDDXNU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[2-(dipropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide
  • N-[2-[[2-(dipropylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide
  • N-[2-[[2-(dipropylamino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]benzamide
  • MLS000520888
  • SMR000131297

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Entamoeba histolytica recQ family helicase, 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
Plasmodium vivax ADP-dependent DNA helicase RecQ, 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 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
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
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 japonicum Bloom syndrome protein homolog, putative 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 ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein 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
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii ATP-dependent DNA helicase recQ-related 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
Theileria parva 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
Echinococcus granulosus ATP dependent DNA helicase Q1 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
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
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus ATP dependent DNA helicase Q5 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
Schistosoma mansoni DNA helicase recq1 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
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative 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
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Treponema pallidum ATP-dependent DNA 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
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
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative 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
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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) hypothetical protein 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
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0094 0.0094
Entamoeba histolytica hypothetical protein 0.0043 0.2098 0.9603
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0078 0.0078
Schistosoma mansoni jumonji domain containing protein 0.0087 0.4868 0.4868
Schistosoma mansoni hypothetical protein 0.0022 0.073 0.073
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1171 0.4637
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.1446 0.5841
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0094 0.0094
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0078 0.0317
Echinococcus granulosus jumonji domain containing protein 0.0046 0.2283 0.2283
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0078 0.0124
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0094 0.0094
Echinococcus granulosus bloom syndrome protein 0.0029 0.1171 0.1171
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2098 0.2098
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.2172 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0094 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0094 0.0149
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0011 0.0009 0.0035
Entamoeba histolytica hypothetical protein 0.0043 0.2098 0.9603
Plasmodium falciparum phd finger protein, putative 0.0033 0.1446 0.5841
Brugia malayi nuclear receptor NHR-88 0.0012 0.0094 0.0149
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.001
Leishmania major hypothetical protein, conserved 0.0049 0.2476 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0094 0.0094
Echinococcus multilocularis peregrin 0.0033 0.1446 0.1446
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.1896 0.1896
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0078 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0094 0.0149
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0094 0.0094
Schistosoma mansoni coup transcription factor 0.0012 0.0094 0.0094
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.5472 0.5472
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.2172 0.2172
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.1446 0.1446
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0094 0.0149
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2172 0.8773
Entamoeba histolytica hypothetical protein 0.0043 0.2098 0.9603
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0011 0.0009 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.5472 0.5472
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0094 0.0094
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0094 0.0094
Brugia malayi jmjC domain containing protein 0.0109 0.6305 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0078 0.0078
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.1446 0.1446
Onchocerca volvulus Alhambra homolog 0.0033 0.1446 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2172 0.8773
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0094 0.0094
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.1446 0.5841
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0094 0.0094
Brugia malayi hypothetical protein 0.0049 0.2476 0.3927
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.2172 0.5
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0009 0.0035
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.1446 0.1668
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0094 0.0149
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.073 0.073
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.5472 0.6309
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.2172 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2098 0.2098
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.2172 1
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.2283 0.2283
Brugia malayi PHD-finger family protein 0.0033 0.1446 0.2294
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Brugia malayi Bromodomain containing protein 0.0033 0.1446 0.2294
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.2476 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0078 0.0317
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0094 0.0094
Echinococcus multilocularis bloom syndrome protein 0.0029 0.1171 0.1171
Brugia malayi hypothetical protein 0.0032 0.1354 0.2148
Brugia malayi hypothetical protein 0.0043 0.2098 0.3328
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0011 0.0009 0.0035
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.2476 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0094 0.0149
Loa Loa (eye worm) hypothetical protein 0.0057 0.2972 0.3427
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0094 0.0094
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0094 0.0094
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0094 0.0149
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.2172 0.8773
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0094 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0094 0.0149
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0094 0.0094
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0553 0.2235
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.2172 0.2172
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0094 0.0149
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0304 0.1229
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0011 0.0009 0.0035
Schistosoma mansoni inositol monophosphatase 0.0045 0.2172 0.2172
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2172 0.8773
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0094 0.0094
Brugia malayi steroid hormone receptor 0.0012 0.0094 0.0149
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0094 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.5472 0.5472
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0094 0.0094
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0779 0.0779
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.1896 0.2186
Schistosoma mansoni inositol monophosphatase 0.0045 0.2172 0.2172
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0094 0.0108
Plasmodium vivax hypothetical protein, conserved 0.0033 0.1446 0.5841
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0094 0.0108
Schistosoma mansoni DNA helicase recq1 0.0012 0.0078 0.0078
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0009 0.0014
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0094 0.0094
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0078 0.009
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2172 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0011 0.0009 0.0035
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0094 0.0149
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0094 0.0094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.5472 0.5472
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0078 0.0078
Schistosoma mansoni hypothetical protein 0.0043 0.2098 0.2098
Loa Loa (eye worm) RecQ helicase 0.0029 0.1171 0.135
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2098 0.2098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.5472 0.5472
Entamoeba histolytica hypothetical protein 0.0043 0.2098 0.9603
Schistosoma mansoni hypothetical protein 0.0033 0.1446 0.1446
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0078 0.0078
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0094 0.0094
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2172 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0094 0.0108
Loa Loa (eye worm) hypothetical protein 0.0033 0.1446 0.1668
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0304 0.1229
Brugia malayi PHD-finger family protein 0.0011 0.0009 0.0014
Echinococcus granulosus peregrin 0.0033 0.1446 0.1446
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.2476 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.5472 0.5472
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Schistosoma mansoni hypothetical protein 0.0011 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0049 0.2476 0.2855
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1873 0.5
Giardia lamblia PHD finger protein 15 0.0033 0.1446 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0094 0.0149
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0094 0.0094
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.1171 0.1857
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0094 0.0108
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.1446 0.1446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0094 0.0108
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0078 0.0317
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.2476 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0094 0.0094
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.1171 0.4637
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0568 0.2295
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0094 0.0149
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.1896 0.1896
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 0.6305 0.6305
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0094 0.0149
Brugia malayi AF-10 protein 0.0011 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.009
Brugia malayi ecdysteroid receptor 0.0012 0.0094 0.0149
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.2476 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0094 0.0108
Brugia malayi jmjC domain containing protein 0.004 0.1896 0.3006
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0094 0.0094
Brugia malayi Inositol-1 0.0045 0.2172 0.3445
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.2476 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.5472 0.5472
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0094 0.0108
Toxoplasma gondii PHD-finger domain-containing protein 0.0011 0.0009 0.0035
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2172 0.8773
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0094 0.0094
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0945 0.3815
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0094 0.0149
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1896 0.1896
Brugia malayi nuclear hormone receptor 0.0012 0.0094 0.0149
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.372 0.429
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.5472 0.8678
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.073 0.073
Loa Loa (eye worm) inositol-1 0.0045 0.2172 0.2505
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.2476 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0094 0.0108
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0094 0.0094
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1873 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0108
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0146 0.8673 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0094 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0094 0.0149
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0304 0.1229
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1896 0.1896
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 0.6305 0.6305
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0094 0.0094
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0094 0.0094
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0078 0.0078

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 26.058 uM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Internal-Standard_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] ChEMBL. No reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 0.0126 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 11.6891 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) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] 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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