Detailed information for compound 1397852

Basic information

Technical information
  • TDR Targets ID: 1397852
  • Name: ethyl 1-[2-(3,4-dimethoxyphenyl)acetyl]piperi dine-4-carboxylate
  • MW: 335.395 | Formula: C18H25NO5
  • H donors: 0 H acceptors: 2 LogP: 1.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)Cc1ccc(c(c1)OC)OC
  • InChi: 1S/C18H25NO5/c1-4-24-18(21)14-7-9-19(10-8-14)17(20)12-13-5-6-15(22-2)16(11-13)23-3/h5-6,11,14H,4,7-10,12H2,1-3H3
  • InChiKey: NHUAWYCMFLPHNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[2-(3,4-dimethoxyphenyl)acetyl]isonipecotic acid ethyl ester
  • ethyl 1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidine-4-carboxylate
  • ZINC00434536
  • CBMicro_049497
  • BIM-0049290.P001
  • Oprea1_346521
  • MLS000108209
  • SMR000104170
  • ST012084

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus microtubule associated protein 2 0.0667 0.7499 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0551 1
Mycobacterium tuberculosis Long conserved protein 0.0334 0.3693 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.051 0.0656
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0275 0.4983
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0052 0.0067
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0052 0.1603
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0551 0.071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0129 0.4987
Schistosoma mansoni hypothetical protein 0.0033 0.0255 0.0315
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0528 0.0703
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.051 0.0679
Schistosoma mansoni hypothetical protein 0.0494 0.5525 0.736
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0129 0.0348
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0053 0.0144
Brugia malayi Thioredoxin family protein 0.0334 0.3693 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0129 0.0169
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0129 0.4987
Echinococcus granulosus Transglutaminase 0.0334 0.3693 0.4924
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0052 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Schistosoma mansoni hypothetical protein 0.0334 0.3693 0.4912
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.7499 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0255 0.0691
Echinococcus granulosus GPCR family 2 0.0015 0.0053 0.0069
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5525 0.7367
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0129 0.0348
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0052 0.0067
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0129 0.0169
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0012 0.002 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0429 0.1163
Echinococcus granulosus phd:f box containing protein 0.0015 0.0052 0.0067
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0052 0.0043
Schistosoma mansoni hypothetical protein 0.0164 0.175 0.2314
Brugia malayi jmjC domain containing protein 0.0015 0.0052 0.0141
Mycobacterium ulcerans putative transglutaminase-like protein 0.0334 0.3693 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0053 0.0069
Mycobacterium leprae Conserved hypothetical protein 0.0334 0.3693 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.175 0.2314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.051 0.0679
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Loa Loa (eye worm) hypothetical protein 0.0015 0.0052 0.092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Mycobacterium tuberculosis Conserved hypothetical protein 0.0334 0.3693 0.5
Brugia malayi jmjC domain containing protein 0.0057 0.0528 0.1431
Echinococcus granulosus serine protein kinase ATM 0.003 0.0222 0.0294
Mycobacterium ulcerans hypothetical protein 0.0334 0.3693 0.5
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0052 0.0067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.051 0.0679
Echinococcus multilocularis Transglutaminase 0.0334 0.3693 0.4924
Schistosoma mansoni cpg binding protein 0.0035 0.0275 0.0342
Brugia malayi jmjC domain containing protein 0.0015 0.0052 0.0141
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.7499 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0222 0.027
Mycobacterium tuberculosis Hypothetical protein 0.0334 0.3693 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.051 0.0656
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.051 0.0656
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0052 0.1603
Mycobacterium tuberculosis Conserved protein 0.0334 0.3693 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0045
Entamoeba histolytica hypothetical protein 0.003 0.0222 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0255 0.4617
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0222 0.0294
Echinococcus granulosus cpg binding protein 0.0037 0.0298 0.0395
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0129 0.1561
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0222 0.055
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.0938
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0053 0.0144
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0053 0.0069
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0075 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5525 0.7367
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0551 0.071
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0129 0.4987
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0129 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0222 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0129 0.5386
Brugia malayi jmjC domain containing protein 0.0015 0.0052 0.0141
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0129 0.9937
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0012 0.002 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.051 0.0679
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0129 0.9937
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0052 0.092
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.063 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0129 0.5386
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0012 0.002 0.0024
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0052 0.0043
Toxoplasma gondii FATC domain-containing protein 0.003 0.0222 0.3131
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0052 0.0275
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Loa Loa (eye worm) hypothetical protein 0.0015 0.0052 0.092
Loa Loa (eye worm) hypothetical protein 0.0015 0.0052 0.092
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0528 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0129 0.5386
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.072 0.0936
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0052 0.092
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0429 0.1163
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0129 0.5386
Giardia lamblia Transglutaminase/protease, putative 0.0334 0.3693 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0075 0.0098
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0052 0.0067
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0222 1
Schistosoma mansoni cpg binding protein 0.0037 0.0298 0.0372
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0045
Echinococcus multilocularis cpg binding protein 0.0037 0.0298 0.0395
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0222 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.051 0.1382
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0052 0.0043
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0551 0.0733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0053 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0429 0.7787
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0036 0.0044
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0045
Mycobacterium leprae Conserved hypothetical protein 0.0334 0.3693 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0129 0.0169
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0129 0.4987
Mycobacterium ulcerans transglutaminase family protein 0.0334 0.3693 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0129 0.4987
Brugia malayi jmjC domain containing protein 0.0015 0.0052 0.0141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus multilocularis GPCR, family 2 0.0015 0.0053 0.0069
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0045
Loa Loa (eye worm) hypothetical protein 0.0026 0.0174 0.3134
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0528 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Loa Loa (eye worm) hypothetical protein 0.0048 0.0429 0.7787
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0052 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0053 0.0069
Echinococcus multilocularis geminin 0.0164 0.175 0.2332
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0052 0.0877
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0129 0.5386
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0528 0.068
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0129 0.2311
Plasmodium vivax JmjC domain containing protein 0.0015 0.0052 0.5
Mycobacterium ulcerans hypothetical protein 0.0334 0.3693 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0129 1
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0052 0.0043
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0129 0.0146
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0129 0.5386
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.033
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0052 0.092
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0129 0.9937
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.051 0.926
Trichomonas vaginalis peptide N-glycanase, putative 0.0334 0.3693 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0052 0.0275
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0129 0.541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Brugia malayi CXXC zinc finger family protein 0.0035 0.0275 0.0745
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0053 0.0938
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Mycobacterium tuberculosis Conserved hypothetical protein 0.0334 0.3693 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0129 0.0296
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0129 0.9937
Giardia lamblia Hypothetical protein 0.0334 0.3693 1
Echinococcus granulosus geminin 0.0164 0.175 0.2332
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0129 0.0169
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0129 0.9937
Brugia malayi jmjC domain containing protein 0.0059 0.0551 0.1492
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0129 0.2311
Plasmodium falciparum JmjC domain-containing protein, putative 0.0015 0.0052 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0036 0.0044
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0052 0.0067
Schistosoma mansoni cpg binding protein 0.0037 0.0298 0.0372
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0174 0.7623
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0623
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0129 0.5386
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0052 0.0043

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) = 35.4813 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) 89.1251 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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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