Detailed information for compound 1373372

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.411 | Formula: C15H20N4OS
  • H donors: 2 H acceptors: 1 LogP: 4.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N=C(N=Nc1c(O)[nH]c2c1cc(cc2)C(C)C)S)C
  • InChi: 1S/C15H20N4OS/c1-8(2)10-5-6-12-11(7-10)13(14(20)17-12)18-19-15(21)16-9(3)4/h5-9,17,20H,1-4H3,(H,16,21)
  • InChiKey: QDRMADZJYIYBQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin-conjugating enzyme E2, putative _UBC13, UbcH-ben, UbcH13 152 aa 153 aa 32.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0047 0.0048
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0326 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0047 0.0048
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0047 0.0309
Brugia malayi MH2 domain containing protein 0.0144 0.151 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0051 0.034
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.0326 0.2159
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.0326 0.0332
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0051 0.0052
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0051 0.0052
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0047 0.0048
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0047 0.0048
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.0047 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0693 0.0706
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0137 0.3134
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0047 0.0309
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0051 0.034
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0047 0.0048
Brugia malayi RNA binding protein 0.0076 0.0693 0.4591
Entamoeba histolytica hypothetical protein 0.0043 0.0294 0.8849
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0137 0.3134
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0047 0.0309
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0051 0.0052
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0326 1
Schistosoma mansoni hypothetical protein 0.0205 0.224 0.2279
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0047 0.0048
Echinococcus granulosus dna polymerase kappa 0.0023 0.0051 0.0052
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0294 0.03
Brugia malayi hypothetical protein 0.003 0.0137 0.091
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0326 0.0191
Leishmania major hypothetical protein, conserved 0.003 0.0137 0.3134
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0326 1
Treponema pallidum DNA-directed RNA polymerase subunit beta 0.0848 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0047 0.0309
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9828 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0047 0.0048
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0326 0.2159
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0047 0.0309
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0497 0.3289
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0693 0.0706
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0047 0.0048
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0497 0.3289
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0047 0.0309
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0047 0.0309
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0693 0.0706
Schistosoma mansoni hypothetical protein 0.0043 0.0294 0.03
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0326 1
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0047 0.0048
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9828 1
Schistosoma mansoni coup transcription factor 0.0023 0.0047 0.0048
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0693 0.4591
Loa Loa (eye worm) hypothetical protein 0.003 0.0137 0.091
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0693 0.0706
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0051 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0047 0.0309
Giardia lamblia DINP protein human, muc B family 0.0023 0.0051 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0294 0.8849
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0047 0.0309
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.151 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0051 0.034
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.0326 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0047 0.0309
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.0047 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0047 0.0309
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0051 0.0052
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0326 0.2159
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0047 0.0048
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0051 0.034
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.0326 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0047 0.0309
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.0326 0.2159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0047 0.0048
Mycobacterium ulcerans DNA-directed RNA polymerase subunit beta 0.0848 1 1
Brugia malayi nuclear hormone receptor 0.0023 0.0047 0.0309
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0047 0.0048
Brugia malayi hypothetical protein 0.002 0.0007 0.0048
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.0326 1
Schistosoma mansoni hypothetical protein 0.0041 0.0267 0.0271
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0047 0.0048
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0047 0.0309
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0497 0.3289
Wolbachia endosymbiont of Brugia malayi DNA-directed RNA polymerase subunit beta/beta' 0.0848 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0047 0.0309
Schistosoma mansoni hypothetical protein 0.0205 0.224 0.2279
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0294 0.03
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0047 0.0048
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.0326 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0047 0.0309
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0047 0.0048
Loa Loa (eye worm) hypothetical protein 0.006 0.0497 0.3289
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Brugia malayi ecdysteroid receptor 0.0023 0.0047 0.0309
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0047 0.0048
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0137 0.3134
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.0326 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.0051 0.0052
Echinococcus granulosus geminin 0.0205 0.224 0.2279
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0047 0.0309
Brugia malayi TAR-binding protein 0.0076 0.0693 0.4591
Entamoeba histolytica hypothetical protein 0.0043 0.0294 0.8849
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0047 0.0309
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0693 0.4591
Echinococcus granulosus dna polymerase eta 0.0023 0.0051 0.0052
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0047 0.0309
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0047 0.0309
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0047 0.0048
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0047 0.0048
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Mycobacterium tuberculosis DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit) 0.0848 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0267 0.1767
Onchocerca volvulus 0.0023 0.0047 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0047 0.0309
Echinococcus granulosus tar DNA binding protein 0.0076 0.0693 0.0706
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0047 0.0309
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0047 0.0048
Echinococcus multilocularis dna polymerase eta 0.0023 0.0051 0.0052
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0047 0.0048
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0047 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0693 0.0706
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.0047 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0294 0.8849
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0047 0.0048
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0047 0.0048
Echinococcus multilocularis geminin 0.0205 0.224 0.2279
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0047 0.0309
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.0326 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0693 0.4591
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0693 0.4591
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9828 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.151 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0047 0.0048
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0326 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0267 0.1767
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0047 0.0048
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0047 0.0048
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0294 0.03
Brugia malayi nuclear receptor NHR-88 0.0023 0.0047 0.0309
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0047 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0693 0.0706
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0047 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0047 0.0309
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0309
Plasmodium falciparum DNA-directed RNA polymerase subunit beta, putative 0.0848 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0047 0.0048
Brugia malayi steroid hormone receptor 0.0023 0.0047 0.0309
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0047 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0047 0.0309
Mycobacterium leprae DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT) 0.0848 1 0.5
Brugia malayi hypothetical protein 0.0043 0.0294 0.195

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.562 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155] ChEMBL. No reference
IC50 (functional) = 19.236 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343] ChEMBL. No reference
Potency (functional) 0.0146 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1312 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) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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