Detailed information for compound 1335093

Basic information

Technical information
  • TDR Targets ID: 1335093
  • Name: N-(3,5-dimethylphenyl)-2-(2-morpholin-4-yleth ylamino)-2-phenylacetamide; oxalic acid
  • MW: 457.519 | Formula: C24H31N3O6
  • H donors: 4 H acceptors: 5 LogP: -2.02 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)NCCN1CCOCC1)Nc1cc(C)cc(c1)C.OC(=O)C(=O)O
  • InChi: 1S/C22H29N3O2.C2H2O4/c1-17-14-18(2)16-20(15-17)24-22(26)21(19-6-4-3-5-7-19)23-8-9-25-10-12-27-13-11-25;3-1(4)2(5)6/h3-7,14-16,21,23H,8-13H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)
  • InChiKey: VZWIFYKASLOUNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5-dimethylphenyl)-2-(2-morpholinoethylamino)-2-phenyl-acetamide; oxalic acid
  • N-(3,5-dimethylphenyl)-2-(2-morpholinoethylamino)-2-phenylacetamide; oxalic acid
  • N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)-2-phenyl-ethanamide; ethanedioic acid
  • SMR000348836
  • T0518-6355
  • MLS001005535

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Sgs1 DNA helicase, putative 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
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum ATP-dependent DNA helicase Q1 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
Brugia malayi ATP-dependent DNA helicase, RecQ family 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
Plasmodium yoelii ATP-dependent DNA helicase recQ-related 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, 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
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Bloom syndrome protein homolog, 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
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans DNA helicase 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
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RecQ helicase 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
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis ATP dependent DNA helicase Q1 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein 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
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) 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 braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Plasmodium berghei ADP-dependent 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
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family 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
Neospora caninum hypothetical protein 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
Leishmania infantum ATP-dependent DEAD/H 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
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2084 0.2839
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0863 0.4455
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0863 0.1716
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0143 0.005
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.2084 0.2839
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0042 0.1026 0.1026
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0143 0.008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0169 0.0089
Plasmodium vivax JmjC domain containing protein 0.003 0.0698 0.623
Schistosoma mansoni hypothetical protein 0.0012 0.018 0.0166
Loa Loa (eye worm) hypothetical protein 0.0036 0.087 0.1096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi hypothetical protein 0.0028 0.0618 0.0734
Echinococcus multilocularis bloom syndrome protein 0.0029 0.066 0.1086
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0143 0.005
Brugia malayi Bromodomain containing protein 0.0035 0.0839 0.1051
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0143 0.005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.087 0.1499
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0698 0.116
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0143 0.0069
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0825 0.1411
Brugia malayi jmjC domain containing protein 0.003 0.0698 0.0848
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0143 0.008
Onchocerca volvulus Alhambra homolog 0.0035 0.0839 0.0879
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1938 0.3598
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0042 0.1026 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0156 0.0804
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.003 0.0698 0.116
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.087 0.1499
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0143 0.008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0042 0.1026 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0143 0.008
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0863 0.1486
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0143 0.005
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.5196 1
Schistosoma mansoni hypothetical protein 0.0036 0.087 0.1731
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1938 0.3598
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0042 0.1026 0.2085
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0169 0.0873
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0143 0.0069
Brugia malayi jmjC domain containing protein 0.003 0.0698 0.0848
Echinococcus granulosus bloom syndrome protein 0.0029 0.066 0.1086
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0143 0.005
Brugia malayi steroid hormone receptor 0.0011 0.0143 0.005
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0143 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0143 0.005
Echinococcus multilocularis muscleblind protein 1 0.0145 0.4003 0.7654
Brugia malayi jmjC domain containing protein 0.0114 0.31 0.4299
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0042 0.1026 0.4528
Schistosoma mansoni jumonji domain containing protein 0.0163 0.4513 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0698 0.0848
Brugia malayi PHD-finger family protein 0.0035 0.0839 0.1051
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8071 0.8018
Brugia malayi ecdysteroid receptor 0.0011 0.0143 0.005
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.0698 0.5657
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0042 0.1026 0.1319
Loa Loa (eye worm) hypothetical protein 0.0036 0.0863 0.1086
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0839 0.7855
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0143 0.005
Schistosoma mansoni protein phosphatase 2C 0.003 0.0698 0.134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0143 0.005
Brugia malayi jmjC domain containing protein 0.003 0.0698 0.0848
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0143 0.0069
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0042 0.1026 0.0776
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0143 0.005
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0143 0.0069
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0839 0.1438
Toxoplasma gondii histone lysine demethylase JMJD6a 0.003 0.0698 0.36
Brugia malayi nuclear hormone receptor 0.0011 0.0143 0.005
Leishmania major hypothetical protein, conserved 0.0028 0.0618 0.2084
Loa Loa (eye worm) jmjC domain-containing protein 0.0114 0.31 0.4299
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0169 0.0121
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0698 0.0848
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0143 0.005
Echinococcus granulosus lysine specific demethylase 5A 0.0114 0.31 0.5882
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.192 0.2603
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0143 0.005
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0698 0.116
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0839 0.433
Loa Loa (eye worm) RecQ helicase 0.0029 0.066 0.0794
Brugia malayi Latrophilin receptor protein 2 0.0036 0.087 0.1096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0143 0.005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0143 0.0069
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1237 0.2219
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0143 0.0069
Loa Loa (eye worm) hypothetical protein 0.0145 0.4003 0.5594
Echinococcus granulosus peregrin 0.0035 0.0839 0.1438
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0143 0.005
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0169 0.0873
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0169 0.0121
Brugia malayi MH2 domain containing protein 0.0144 0.3981 0.5563
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0143 0.005
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0383 0.1974
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0042 0.1026 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.003 0.0698 0.116
Brugia malayi jmjC domain containing protein 0.003 0.0698 0.0848
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Brugia malayi jmjC domain containing protein 0.0186 0.5196 0.7309
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0143 0.008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.31 0.6794
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0618 0.3189
Onchocerca volvulus 0.0286 0.8071 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0143 0.005
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0143 0.0069
Plasmodium falciparum phd finger protein, putative 0.0035 0.0839 0.7855
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0042 0.1026 0.1805
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0618 0.4602
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0143 0.005
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0042 0.1026 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.31 0.6794
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.5196 1
Brugia malayi hypothetical protein 0.0018 0.0337 0.0329
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0143 0.0069
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.087 0.1096
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0143 0.0069
Plasmodium vivax SET domain protein, putative 0.0036 0.0863 0.8134
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0863 0.1486
Loa Loa (eye worm) hypothetical protein 0.0079 0.211 0.2877
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0042 0.1026 0.1319
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0143 0.008
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0698 0.116
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3981 0.5563
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1938 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0618 0.4602
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0042 0.1026 1
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0194 0.0125
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0169 0.0121
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.003 0.0698 0.36
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0863 0.1716
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.066 0.0794
Schistosoma mansoni hypothetical protein 0.0036 0.087 0.1731
Echinococcus multilocularis peregrin 0.0035 0.0839 0.1438
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0143 0.005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0143 0.005
Leishmania major hypothetical protein, conserved 0.003 0.0698 0.2562
Echinococcus multilocularis lysine specific demethylase 5A 0.0114 0.31 0.5882
Brugia malayi nuclear receptor NHR-88 0.0011 0.0143 0.005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.087 0.1499
Loa Loa (eye worm) hypothetical protein 0.0115 0.313 0.4341
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0143 0.0069
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0143 0.005
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1938 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.066 0.04
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0618 0.5314
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1237 0.2219
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4795 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0389 0.2683
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0143 0.0069
Brugia malayi Pre-SET motif family protein 0.0036 0.0863 0.1086
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.003 0.0698 0.623
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.707 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.018 0.0143
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0839 0.1438
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0698 0.134
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0143 0.0069
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1938 0.4156
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0143 0.0069
Schistosoma mansoni hypothetical protein 0.0078 0.2084 0.4487
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0698 0.116
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0143 0.0069
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0484 0.0855
Echinococcus multilocularis muscleblind protein 0.0145 0.4003 0.7654
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0042 0.1026 0.5293
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0143 0.0069
Loa Loa (eye worm) hypothetical protein 0.0012 0.0169 0.0089
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0863 0.1716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.087 0.1499
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0143 0.008
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0618 0.5314
Schistosoma mansoni hypothetical protein 0.0035 0.0839 0.1661
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.313 0.4341
Brugia malayi PHD-finger family protein 0.0012 0.0156 0.007
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0143 0.008
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0169 0.0089
Brugia malayi Muscleblind-like protein 0.0145 0.4003 0.5594
Brugia malayi AF-10 protein 0.0012 0.0156 0.007
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0143 0.008
Schistosoma mansoni phd/f-box containing protein 0.003 0.0698 0.134
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0042 0.1026 0.1805
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0042 0.1026 0.1319
Loa Loa (eye worm) hypothetical protein 0.0035 0.0839 0.1051
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0143 0.005
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Schistosoma mansoni coup transcription factor 0.0011 0.0143 0.008
Loa Loa (eye worm) hypothetical protein 0.003 0.0698 0.0848
Giardia lamblia PHD finger protein 15 0.0035 0.0839 0.0682
Plasmodium falciparum JmjC domain-containing protein, putative 0.003 0.0698 0.623
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3981 0.5563
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4795 1
Schistosoma mansoni hypothetical protein 0.0012 0.0156 0.011
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0143 0.005
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0698 0.116
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0143 0.0069
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0143 0.005
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4795 1
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0143 0.008
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0839 0.1661
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0169 0.0121
Schistosoma mansoni jumonji domain containing protein 0.003 0.0698 0.134
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.0698 0.5657
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Brugia malayi Pre-SET motif family protein 0.0251 0.707 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0169 0.014
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0143 0.008
Schistosoma mansoni hypothetical protein 0.0036 0.087 0.1731
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.0169 0.014
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0698 0.134
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1938 0.4156
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0143 0.008
Loa Loa (eye worm) hypothetical protein 0.0146 0.4031 0.5635
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0618 0.5314
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.005
Loa Loa (eye worm) hypothetical protein 0.0028 0.0618 0.0734
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.018 0.0143
Schistosoma mansoni hypothetical protein 0.0036 0.087 0.1731
Echinococcus granulosus muscleblind protein 0.0145 0.4003 0.7654
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.066 0.04
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0618 0.5314
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0143 0.005
Onchocerca volvulus 0.0036 0.0863 0.0909
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.087 0.1096
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0839 0.433
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0698 0.0848
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0042 0.1026 0.0776
Echinococcus granulosus GPCR family 2 0.0036 0.087 0.1499
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0863 0.1486
Loa Loa (eye worm) hypothetical protein 0.0145 0.4003 0.5594
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0698 0.0848
Echinococcus multilocularis phd:f box containing protein 0.003 0.0698 0.116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.313 0.4341
Echinococcus granulosus phd:f box containing protein 0.003 0.0698 0.116
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.313 0.4341
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0839 0.1051
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0143 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0143 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0863 0.1716
Echinococcus multilocularis GPCR, family 2 0.0036 0.087 0.1499
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0042 0.1026 0.1319
Loa Loa (eye worm) hypothetical protein 0.0012 0.0156 0.007
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0271 0.1319
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0194 0.0197
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0698 0.116
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0156 0.0804
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0169 0.0152
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0558 0.4627
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0169 0.0089

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 48.37 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a: Hit Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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