Detailed information for compound 1514306

Basic information

Technical information
  • TDR Targets ID: 1514306
  • Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)pipe razin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-tert- butylbenzamide
  • MW: 479.611 | Formula: C28H37N3O4
  • H donors: 1 H acceptors: 2 LogP: 4.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@@H](C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)C(C)(C)C)C
  • InChi: 1S/C28H37N3O4/c1-19(2)25(29-26(32)21-7-9-22(10-8-21)28(3,4)5)27(33)31-14-12-30(13-15-31)17-20-6-11-23-24(16-20)35-18-34-23/h6-11,16,19,25H,12-15,17-18H2,1-5H3,(H,29,32)/t25-/m0/s1
  • InChiKey: XEOFTODUMOLQCC-VWLOTQADSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-tert-butyl-benzamide
  • N-[(1S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylpropyl]-4-tert-butylbenzamide
  • N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxo-butan-2-yl]-4-tert-butyl-benzamide
  • T5215069

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus 5-hydroxytryptamine (serotonin) receptor 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii hypothetical protein 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 jumonji domain containing protein 0.0092 0.0762 0.1071
Schistosoma mansoni smad1 5 8 and 0.0033 0.0156 0.0211
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0176 0.6427
Brugia malayi Smad1 0.0033 0.0156 0.0316
Brugia malayi Bromodomain containing protein 0.0035 0.0174 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0176 0.556
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0356 0.0725
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0356 0.035
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.029 0.0401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.029 0.0589
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.1706 0.241
Echinococcus granulosus tumor protein p63 0.0688 0.6968 0.9874
Echinococcus granulosus GPCR family 2 0.008 0.0636 0.0893
Echinococcus multilocularis GPCR, family 2 0.008 0.0636 0.063
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0118 0.2856
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0174 0.0238
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0252 0.2426 0.494
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.0636 0.063
Echinococcus multilocularis peregrin 0.0035 0.0174 0.0168
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0318 0.0312
Echinococcus multilocularis lamin dm0 0.0026 0.0082 0.0076
Echinococcus multilocularis musashi 0.0026 0.0082 0.0076
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.029 0.0401
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.7056 0.7055
Echinococcus granulosus lamin dm0 0.0026 0.0082 0.0107
Schistosoma mansoni smad 0.0033 0.0156 0.0211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.027 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0252 0.0512
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0473 0.0964
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0082 0.0167
Schistosoma mansoni lamin 0.0026 0.0082 0.0107
Schistosoma mansoni hypothetical protein 0.0205 0.1938 0.2739
Echinococcus granulosus lamin 0.0026 0.0082 0.0107
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0082 0.0167
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0007 0.0013
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.0636 0.1295
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.027 1
Loa Loa (eye worm) transcription factor SMAD2 0.049 0.491 1
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.029 0.0589
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0156 0.0211
Loa Loa (eye worm) RNA binding protein 0.0064 0.0473 0.0964
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0473 0.0662
Schistosoma mansoni hypothetical protein 0.0205 0.1938 0.2739
Brugia malayi MH1 domain containing protein 0.0033 0.0156 0.0316
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0007 0.0245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0108 0.2387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0203 0.6827
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.029 0.0283
Onchocerca volvulus 0.0101 0.0856 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.2426 0.494
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1008 0.1002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Brugia malayi jmjC domain containing protein 0.0115 0.1008 0.2053
Schistosoma mansoni hypothetical protein 0.008 0.0636 0.0893
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0084 0.1267
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0007 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0007 0.0245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0081 0.1138
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.027 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0176 0.556
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.027 0.0374
Brugia malayi latrophilin 2 splice variant baaae 0.0172 0.1598 0.3253
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0174 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0174 0.0355
Echinococcus granulosus Smad4 0.0033 0.0156 0.0211
Brugia malayi MH2 domain containing protein 0.0033 0.0156 0.0316
Schistosoma mansoni hypothetical protein 0.008 0.0636 0.0893
Loa Loa (eye worm) hypothetical protein 0.0026 0.0077 0.0156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.0636 0.0893
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.1706 0.17
Schistosoma mansoni hypothetical protein 0.008 0.0636 0.0893
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.7056 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0174 0.0238
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0174 1
Echinococcus multilocularis Smad4 0.0033 0.0156 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0176 0.556
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0473 0.0662
Onchocerca volvulus Alhambra homolog 0.0035 0.0174 0.1194
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0027 0.0985
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0156 0.0211
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0174 0.0168
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.0636 0.063
Schistosoma mansoni intermediate filament proteins 0.0026 0.0082 0.0107
Schistosoma mansoni hypothetical protein 0.0035 0.0174 0.0238
Brugia malayi jmjC domain containing protein 0.0043 0.0252 0.0512
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0082 0.0167
Loa Loa (eye worm) hypothetical protein 0.0101 0.0856 0.1743
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0058 0.0018
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.029 0.0401
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.027 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0356 0.0496
Loa Loa (eye worm) hypothetical protein 0.0053 0.0356 0.0725
Brugia malayi mbt repeat family protein 0.0046 0.029 0.0589
Schistosoma mansoni smad1 5 8 and 0.0033 0.0156 0.0211
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0156 0.0316
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0156 0.0211
Echinococcus granulosus intermediate filament protein 0.0026 0.0082 0.0107
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0174 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0176 0.556
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0473 0.0964
Brugia malayi PHD-finger family protein 0.0035 0.0174 0.0355
Brugia malayi MH1 domain containing protein 0.0033 0.0156 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0473 0.0662
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.0856 0.1205
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1008 0.1421
Brugia malayi intermediate filament protein 0.0026 0.0082 0.0167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0058 0.0018
Onchocerca volvulus 0.0046 0.029 0.2681
Schistosoma mansoni hypothetical protein 0.0281 0.2735 0.387
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.0636 0.1295
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0356 0.0496
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.029 0.0283
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0252 0.2426 0.494
Schistosoma mansoni smad1 5 8 and 0.0033 0.0156 0.0211
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0156 0.0149
Loa Loa (eye worm) hypothetical protein 0.0172 0.1598 0.3253
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.027 1
Echinococcus granulosus peregrin 0.0035 0.0174 0.0238
Loa Loa (eye worm) hypothetical protein 0.0035 0.0174 0.0355
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0473 0.0467
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.027 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0084 0.1267
Loa Loa (eye worm) hypothetical protein 0.006 0.0436 0.0888
Echinococcus granulosus microtubule associated protein 2 0.0696 0.7056 1
Schistosoma mansoni hypothetical protein 0.0172 0.1598 0.2257
Brugia malayi MH2 domain containing protein 0.049 0.491 1
Brugia malayi RNA binding protein 0.0064 0.0473 0.0964
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.027 0.0374
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.029 0.0401
Echinococcus granulosus geminin 0.0205 0.1938 0.2739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0081 0.1138
Echinococcus multilocularis geminin 0.0205 0.1938 0.1932
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0252 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0058 0.0018
Schistosoma mansoni Smad4 0.0033 0.0156 0.0211
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0473 0.0964
Loa Loa (eye worm) Smad1 0.0033 0.0156 0.0316
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0356 0.035
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0007 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0356 0.0496
Giardia lamblia GTOR 0.0044 0.027 1
Echinococcus multilocularis lamin 0.0026 0.0082 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0176 0.556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0084 0.1267
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0156 0.0149
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0152 0.8647
Brugia malayi mbt repeat family protein 0.0046 0.029 0.0589
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0252 0.0347
Loa Loa (eye worm) hypothetical protein 0.0026 0.0082 0.0167
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0176 0.6427
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0252 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0473 0.0662
Brugia malayi TAR-binding protein 0.0064 0.0473 0.0964
Schistosoma mansoni lamin 0.0026 0.0082 0.0107
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0156 0.0316
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.027 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0252 0.0347
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.027 0.0264
Schistosoma mansoni hypothetical protein 0.008 0.0636 0.0893
Echinococcus granulosus smad 0.0033 0.0156 0.0211
Plasmodium falciparum phd finger protein, putative 0.0035 0.0174 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.0636 0.0893
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.029 0.2681
Brugia malayi Calcitonin receptor-like protein seb-1 0.0252 0.2426 0.494
Echinococcus multilocularis tumor protein p63 0.0688 0.6968 0.6966
Echinococcus granulosus tar DNA binding protein 0.0064 0.0473 0.0662
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.027 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.027 1
Brugia malayi Latrophilin receptor protein 2 0.008 0.0636 0.1295
Loa Loa (eye worm) MBCTL1 0.0053 0.0356 0.0725
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.027 0.055
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.027 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.029 0.0401
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0318 0.0442
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0565 0.1149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0152 0.444
Brugia malayi isocitrate dehydrogenase 0.0019 0.0007 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0058 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0473 0.0662
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.027 0.055
Loa Loa (eye worm) MH2 domain-containing protein 0.049 0.491 1
Echinococcus multilocularis smad 0.0033 0.0156 0.0149
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0176 0.6514
Brugia malayi MH2 domain containing protein 0.0033 0.0156 0.0316
Loa Loa (eye worm) hypothetical protein 0.008 0.0636 0.1295

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 4.331 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 92.468 uM PubChem BioAssay. Counterscreen for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A): Luminescence-based cell-based high throughput dose response assay to identify agonists of the mu 1 opioid receptor (OPRM1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 14.581 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 35.4813 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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