Detailed information for compound 1413287

Basic information

Technical information
  • TDR Targets ID: 1413287
  • Name: 4-[1-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-2 ,4-dioxoquinazolin-3-yl]-N-[1-(phenylmethyl)p iperidin-4-yl]butanamide
  • MW: 597.704 | Formula: C34H39N5O5
  • H donors: 2 H acceptors: 4 LogP: 3.74 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1ccc(cc1)NC(=O)Cn1c2ccccc2c(=O)n(c1=O)CCCC(=O)NC1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C34H39N5O5/c1-2-44-28-16-14-26(15-17-28)36-32(41)24-39-30-12-7-6-11-29(30)33(42)38(34(39)43)20-8-13-31(40)35-27-18-21-37(22-19-27)23-25-9-4-3-5-10-25/h3-7,9-12,14-17,27H,2,8,13,18-24H2,1H3,(H,35,40)(H,36,41)
  • InChiKey: GQLMUCPBCNSBFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[1-[2-[(4-ethoxyphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]-N-[1-(phenylmethyl)-4-piperidyl]butanamide
  • 4-[1-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-2,4-dioxo-3-quinazolinyl]-N-[1-(phenylmethyl)-4-piperidinyl]butanamide
  • N-[1-(benzyl)-4-piperidyl]-4-[1-[2-[(4-ethoxyphenyl)amino]-2-keto-ethyl]-2,4-diketo-quinazolin-3-yl]butyramide
  • 4-[1-[2-[(4-ethoxyphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]-N-[1-(phenylmethyl)piperidin-4-yl]butanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans ubiquitin-conjugating enzyme 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 japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative 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
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative 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
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania braziliensis ubiquitin-conjugating enzyme e2, 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
Candida albicans ubiquitin conjugating enzyme 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
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
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
Leishmania infantum ubiquitin-conjugating enzyme e2, 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
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 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
Trichomonas vaginalis 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
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium parvum ubiquitin-conjugating enzyme 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
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium hominis ubiquitin-conjugating enzyme 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
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0025 0.0043 0.0391
Schistosoma mansoni histone deacetylase 1 2 3 0.0201 0.0451 0.3962
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0003 0.0012
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0483 0.1109 1
Trichomonas vaginalis histone deacetylase, putative 0.0483 0.1109 1
Leishmania major udp-glc 4-epimerase, putative 0.0053 0.0107 0.0687
Brugia malayi Histone deacetylase family protein 0.0446 0.1023 0.9228
Brugia malayi UDP galactose 4'-epimerase 0.0054 0.0111 0.099
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0025 0.0043 0.0367
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0021 0.0033 0.0264
Brugia malayi ecdysteroid receptor 0.0008 0.0003 0.0012
Brugia malayi steroid hormone receptor 0.0008 0.0003 0.0012
Trypanosoma brucei histone deacetylase 3 0.0446 0.1023 0.9206
Trichomonas vaginalis histone deacetylase, putative 0.0483 0.1109 1
Trypanosoma cruzi histone deacetylase, putative 0.0201 0.0451 0.3831
Echinococcus granulosus UDP glucose 4 epimerase 0.0054 0.0111 0.0957
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0025 0.0043 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0003 0.0012
Loa Loa (eye worm) CXXC zinc finger family protein 0.007 0.0147 0.133
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0003 0.0012
Leishmania major hypothetical protein, conserved 0.0025 0.0043 0.0096
Schistosoma mansoni histone deacetylase 4 5 0.0446 0.1023 0.9015
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0054 0.0111 0.0638
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0092 0.0828
Trypanosoma brucei histone deacetylase 1 0.0483 0.1109 1
Toxoplasma gondii histone deacetylase HDAC4 0.0201 0.0451 0.389
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0025 0.0043 0.0356
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0003 0.0012
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0092 0.0547
Leishmania major histone deacetylase, putative 0.0446 0.1023 0.9206
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0048 0.0097 0.0596
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0003 0.0028
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0048 0.0097 0.0505
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0048 0.0097 0.0853
Echinococcus multilocularis histone deacetylase 0.0446 0.1023 0.9015
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.0092 0.0784
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0156 0.1349
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0054 0.0111 0.0638
Plasmodium vivax histone deacetylase 1, putative 0.0483 0.1109 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Echinococcus granulosus histone deacetylase 6 0.0446 0.1023 0.9015
Schistosoma mansoni UDP-glucose 4-epimerase 0.0054 0.0111 0.0957
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0025 0.0043 0.0356
Echinococcus granulosus histone deacetylase 0.0446 0.1023 0.9015
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0092 0.0455
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0048 0.0097 0.0505
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0025 0.0043 0.0356
Toxoplasma gondii histone deacetylase HDAC2 0.0483 0.1109 1
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0048 0.0097 0.0862
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0025 0.0043 0.0096
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase 13, putative 0.0025 0.0043 0.0096
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0003 0.0028
Schistosoma mansoni brca1-associated protein (brap2) 0.0025 0.0043 0.0356
Loa Loa (eye worm) histone deacetylase 0.0446 0.1023 0.923
Echinococcus multilocularis BRCA1 associated protein 0.0025 0.0043 0.0356
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1135 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0003 0.0028
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.0092 0.0813
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0003 0.0012
Entamoeba histolytica histone deacetylase, putative 0.0483 0.1109 1
Trichomonas vaginalis histone deacetylase, putative 0.0483 0.1109 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0003 0.0012
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0048 0.0097 0.0596
Brugia malayi histone deacetylase 11 0.0201 0.0451 0.4062
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0003 0.0012
Trypanosoma cruzi histone deacetylase, putative 0.0446 0.1023 0.9198
Echinococcus multilocularis histone deacetylase 6 0.0446 0.1023 0.9015
Trypanosoma brucei histone deacetylase 2 0.0201 0.0451 0.389
Schistosoma mansoni histone deacetylase hda2 0.0471 0.1082 0.9535
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0048 0.0097 0.0596
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0054 0.0111 0.0982
Loa Loa (eye worm) hypothetical protein 0.0271 0.0615 0.5549
Echinococcus multilocularis histone deacetylase 1 0.0483 0.1109 0.977
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.0092 0.0547
Schistosoma mansoni cpg binding protein 0.0072 0.0152 0.1317
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0048 0.0097 0.0876
Plasmodium vivax histone deacetylase, putative 0.0446 0.1023 0.9206
Schistosoma mansoni histone deacetylase 0.0483 0.1109 0.977
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0003 0.0012
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0025 0.0043 0.0096
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0003 0.0012
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0003 0.0028
Trypanosoma brucei histone deacetylase, putative 0.0446 0.1023 0.9206
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0041 0.0079 0.0671
Toxoplasma gondii UDP-glucose 4-epimerase 0.0054 0.0111 0.0729
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4301 1 1
Echinococcus granulosus histone deacetylase 3 0.0483 0.1109 0.977
Leishmania major histone deacetylase, putative 0.0483 0.1109 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0025 0.0043 0.0376
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0089 0.0192 0.148
Loa Loa (eye worm) histone deacetylase 7A 0.0446 0.1023 0.923
Brugia malayi nuclear receptor NHR-88 0.0008 0.0003 0.0012
Echinococcus multilocularis histone deacetylase 7 0.0446 0.1023 0.9015
Trypanosoma cruzi histone deacetylase, putative 0.0446 0.1023 0.9198
Brugia malayi Disco-interacting protein 2 homolog 0.0041 0.0079 0.0698
Echinococcus multilocularis histone deacetylase 6 0.0446 0.1023 0.9015
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0003 0.0012
Schistosoma mansoni histone deacetylase 4 5 0.0446 0.1023 0.9015
Plasmodium vivax histone deacetylase 2, putative 0.0446 0.1023 0.9206
Leishmania major histone deacetylase, putative 0.0446 0.1023 0.9206
Toxoplasma gondii histone deacetylase HDAC3 0.0483 0.1109 1
Schistosoma mansoni cpg binding protein 0.007 0.0147 0.1276
Brugia malayi histone deacetylase 3 (HD3) 0.0483 0.1109 1
Onchocerca volvulus 0.0041 0.0079 0.1694
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0005 0.0013
Toxoplasma gondii histone deacetylase HDAC1 0.0446 0.1023 0.9206
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0025 0.0043 0.0356
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0025 0.0043 0.0376
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0025 0.0043 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0003 0.0012
Echinococcus granulosus disco interacting protein 2 0.0041 0.0079 0.0671
Echinococcus granulosus histone deacetylase 6 0.0471 0.1082 0.9535
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0025 0.0043 0.0096
Toxoplasma gondii histone deacetylase HDAC5 0.0201 0.0451 0.389
Brugia malayi BRCA1-associated protein 2 containing protein 0.0025 0.0043 0.0376
Echinococcus multilocularis histone deacetylase 3 0.0483 0.1109 0.977
Trichomonas vaginalis histone deacetylase, putative 0.0483 0.1109 1
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0048 0.0097 0.0596
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0025 0.0043 0.0096
Plasmodium falciparum histone deacetylase 1 0.0483 0.1109 1
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.0025 0.0043 0.0096
Trypanosoma cruzi histone deacetylase 1, putative 0.0483 0.1109 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0025 0.0043 0.0367
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0005 0.0013
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase 13, putative 0.0025 0.0043 0.0096
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.0092 0.0547
Echinococcus granulosus histone deacetylase 6 0.0446 0.1023 0.9015
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0025 0.0043 0.0356
Echinococcus granulosus histone deacetylase 7 0.0446 0.1023 0.9015
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0054 0.0111 0.1004
Loa Loa (eye worm) hypothetical protein 0.0483 0.1109 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0025 0.0043 0.0096
Plasmodium falciparum histone deacetylase, putative 0.0446 0.1023 0.9206
Leishmania major histone deacetylase, putative 0.0483 0.1109 1
Brugia malayi Histone deacetylase 1 0.0483 0.1109 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0009 0.0085
Echinococcus multilocularis disco interacting protein 2 0.0041 0.0079 0.0671
Schistosoma mansoni hypothetical protein 0.0494 0.1135 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0003 0.0012
Brugia malayi CXXC zinc finger family protein 0.007 0.0147 0.1316
Echinococcus granulosus DNA methyltransferase 2, putative 0.0021 0.0033 0.0264
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0054 0.0111 0.0982
Plasmodium falciparum histone deacetylase 2 0.0446 0.1023 0.9206
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0048 0.0097 0.0505
Brugia malayi Histone deacetylase family protein 0.0446 0.1023 0.9228
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0048 0.0097 0.0831
Trypanosoma cruzi histone deacetylase, putative 0.0201 0.0451 0.3831
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0483 0.1109 1
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0048 0.0097 0.0596
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0003 0.0028
Brugia malayi histone deacetylase 1 (HD1) 0.0483 0.1109 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0025 0.0043 0.0096
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0005 0.0013
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0138 0.0972
Schistosoma mansoni cpg binding protein 0.0072 0.0152 0.1317
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0048 0.0097 0.0831
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0025 0.0043 0.0096
Loa Loa (eye worm) hypothetical protein 0.0201 0.0451 0.4072
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.0092 0.0784
Echinococcus multilocularis histone deacetylase 8 0.0201 0.0451 0.3962
Trichomonas vaginalis brca1-associated protein, putative 0.0025 0.0043 0.0367
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0005 0.0013
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1135 1
Trypanosoma cruzi histone deacetylase, putative 0.0446 0.1023 0.9198
Loa Loa (eye worm) hypothetical protein 0.0246 0.0556 0.5018
Echinococcus granulosus cpg binding protein 0.0072 0.0152 0.1317
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0025 0.0043 0.0096
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0009 0.0056
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0003 0.0028
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0009 0.0056
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0048 0.0097 0.0596
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.0092 0.0547
Loa Loa (eye worm) histone deacetylase 1 0.0483 0.1109 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0003 0.0012
Trichomonas vaginalis histone deacetylase, putative 0.0483 0.1109 1
Plasmodium vivax histone deacetylase, putative 0.0201 0.0451 0.389
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0025 0.0043 0.0391
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0003 0.0012
Trypanosoma brucei histone deacetylase 4 0.0446 0.1023 0.9206
Plasmodium falciparum U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0025 0.0043 0.0096
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0009 0.0067
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0025 0.0043 0.0376
Schistosoma mansoni brca1-associated protein (brap2) 0.0025 0.0043 0.0356
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0043 0.0096
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0092 0.0805
Trypanosoma brucei UDP-galactose 4-epimerase 0.0053 0.0107 0.0687
Giardia lamblia Histone deacetylase 0.0483 0.1109 1
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0025 0.0043 0.0356
Trichomonas vaginalis histone deacetylase, putative 0.0483 0.1109 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0048 0.0097 0.0831
Echinococcus granulosus BRCA1 associated protein 0.0025 0.0043 0.0356
Schistosoma mansoni histone deacetylase hda2 0.0201 0.0451 0.3962
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0025 0.0043 0.0367
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0003 0.0028
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.0025 0.0043 0.0898
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0005 0.0013
Schistosoma mansoni histone deacetylase 0.0483 0.1109 0.977
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0025 0.0043 0.0367
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0025 0.0043 0.0356
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0054 0.0111 0.0982
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0048 0.0097 0.0596
Loa Loa (eye worm) histone deacetylase 11 0.0201 0.0451 0.4072
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.0092 0.0784
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0021 0.0033 0.0264
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0092 0.0455
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0483 0.1109 1
Brugia malayi nuclear hormone receptor 0.0008 0.0003 0.0012
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0054 0.0111 0.0729
Echinococcus multilocularis UDP glucose 4 epimerase 0.0054 0.0111 0.0957
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0025 0.0043 0.0356
Leishmania major hypothetical protein, conserved 0.0025 0.0043 0.0096
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0028
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0025 0.0043 0.0096
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0092 0.0828
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0003 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0003 0.0012
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0092 0.0805
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0003 0.0012
Loa Loa (eye worm) histone deacetylase 3 0.0483 0.1109 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.0092 0.0547
Echinococcus granulosus histone deacetylase 1 0.0483 0.1109 0.977
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.0092 0.0813
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0025 0.0043 0.0391
Onchocerca volvulus 0.007 0.0147 0.3221
Trypanosoma cruzi histone deacetylase 1, putative 0.0483 0.1109 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0201 0.0451 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0092 0.0547
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.4252 0.9887 1
Trichomonas vaginalis BRCA1-associated protein, putative 0.0025 0.0043 0.0367
Echinococcus multilocularis cpg binding protein 0.0072 0.0152 0.1317
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0025 0.0043 0.0391
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0025 0.0043 0.0391
Toxoplasma gondii hypothetical protein 0.0089 0.0192 0.148
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0025 0.0043 0.0367
Loa Loa (eye worm) hypothetical protein 0.0041 0.0079 0.0713
Echinococcus granulosus histone deacetylase 8 0.0201 0.0451 0.3962
Plasmodium vivax U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0025 0.0043 0.0096
Echinococcus multilocularis histone deacetylase 6 0.0471 0.1082 0.9535
Giardia lamblia UDP-glucose 4-epimerase 0.0053 0.0107 0.0596

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.191 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) = 5.269 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) 5.2213 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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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