Detailed information for compound 1208124

Basic information

Technical information
  • TDR Targets ID: 1208124
  • Name: (E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pip eridin-1-ylquinolin-6-yl)prop-2-enamide
  • MW: 431.527 | Formula: C26H29N3O3
  • H donors: 1 H acceptors: 2 LogP: 5.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)Nc2ccc3c(c2)c(C)cc(n3)N2CCCCC2)ccc1OC
  • InChi: 1S/C26H29N3O3/c1-18-15-25(29-13-5-4-6-14-29)28-22-10-9-20(17-21(18)22)27-26(30)12-8-19-7-11-23(31-2)24(16-19)32-3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,27,30)/b12-8+
  • InChiKey: JEGMTNOFHVMKJK-XYOKQWHBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(1-piperidyl)-6-quinolyl]prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(1-piperidyl)-6-quinolyl]prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-piperidino-6-quinolyl)acrylamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-piperidino-6-quinolyl)acrylamide
  • 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)prop-2-enamide
  • C095-0066
  • NCGC00103790-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
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 MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0163 0.0061
Brugia malayi Cytochrome P450 family protein 0.0053 0.0374 0.0828
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.15 0.2324
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0163 0.0211
Trypanosoma cruzi cytochrome P450, putative 0.0053 0.0374 0.9415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0295 0.0282
Schistosoma mansoni sphingosine kinase A B 0.0538 0.6357 0.6352
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Echinococcus multilocularis phd:f box containing protein 0.003 0.0093 0.008
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0163 0.0116
Leishmania major cytochrome p450-like protein 0.0033 0.0125 0.106
Echinococcus granulosus jumonji domain containing protein 0.013 0.1322 0.131
Echinococcus granulosus phd:f box containing protein 0.003 0.0093 0.008
Brugia malayi jmjC domain containing protein 0.0115 0.1142 0.309
Brugia malayi jmjC domain containing protein 0.003 0.0093 0.0000020266
Loa Loa (eye worm) hypothetical protein 0.0049 0.0329 0.0473
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0295 0.0282
Brugia malayi jmjC domain containing protein 0.003 0.0093 0.0000020266
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0391 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0121 0.121 0.1866
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0295 0.0595
Echinococcus granulosus cytochrome P450 2K1 0.0033 0.0125 0.0111
Mycobacterium tuberculosis Conserved protein 0.0036 0.0163 0.0061
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0093 0.008
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0287 0.3259 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0293 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0083 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0118 0.0051
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0391 1
Brugia malayi beta-lactamase family protein 0.0036 0.0163 0.0206
Brugia malayi beta-lactamase family protein 0.0036 0.0163 0.0206
Schistosoma mansoni hypothetical protein 0.0041 0.023 0.0216
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0391 0.0378
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0295 0.0282
Mycobacterium ulcerans hypothetical protein 0.0538 0.6357 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0032 0.0121 0.0108
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0098 0.006
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0163 0.0061
Loa Loa (eye worm) beta-lactamase 0.0036 0.0163 0.0211
Loa Loa (eye worm) hypothetical protein 0.0093 0.0871 0.1331
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0093 0.008
Brugia malayi beta-lactamase 0.0036 0.0163 0.0206
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0255 0.5427
Trypanosoma cruzi cytochrome P450, putative 0.0053 0.0374 0.9415
Echinococcus granulosus PHD finger protein rhinoceros 0.0093 0.0871 0.0859
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Loa Loa (eye worm) PHD-finger family protein 0.0093 0.0871 0.1331
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.003 0.0098 0.006
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0163 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0391 0.0448
Echinococcus granulosus tumor protein p63 0.0408 0.4755 0.4747
Brugia malayi PHD-finger family protein 0.0093 0.0871 0.2294
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0033 0.0125 0.106
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0391 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0093 0.0101
Brugia malayi jmjC domain containing protein 0.003 0.0093 0.0000020266
Echinococcus multilocularis peregrin 0.0096 0.0907 0.0894
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.15 0.2324
Echinococcus multilocularis PHD finger protein rhinoceros 0.0093 0.0871 0.0859
Toxoplasma gondii PHD-finger domain-containing protein 0.0093 0.0871 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.023 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0391 0.0448
Schistosoma mansoni sphingoid long chain base kinase 0.0538 0.6357 0.6352
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0083 0.0001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0257 0.0244
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0257 0.0244
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.003 0.0093 0.2377
Mycobacterium tuberculosis Conserved protein 0.0036 0.0163 0.0061
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0611 0.0598
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0093 0.0101
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0118 0.0051
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.9652 0.9652
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.022 0.1629
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.023 0.0402
Schistosoma mansoni hypothetical protein 0.0093 0.0871 0.0859
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0058 0.0044
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0459 0.0678
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0163 0.0898
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.0098 0.2497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0083 0.0001
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0211
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0459 0.0446
Loa Loa (eye worm) hypothetical protein 0.016 0.1693 0.2629
Brugia malayi Bromodomain containing protein 0.0046 0.0292 0.0588
Trypanosoma brucei cytochrome P450, putative 0.0053 0.0374 0.9554
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0093 0.008
Plasmodium falciparum phd finger protein, putative 0.0093 0.0871 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0254 0.0249
Loa Loa (eye worm) hypothetical protein 0.0085 0.0775 0.1179
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0163 0.0061
Echinococcus multilocularis jumonji domain containing protein 0.013 0.1322 0.131
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0033 0.0125 0.106
Schistosoma mansoni jumonji domain containing protein 0.003 0.0093 0.008
Toxoplasma gondii PHD-finger domain-containing protein 0.0093 0.0871 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0391 0.0378
Brugia malayi PHD-finger family protein 0.0033 0.0126 0.0098
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0391 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0163 0.0061
Entamoeba histolytica hypothetical protein, conserved 0.0538 0.6357 0.908
Schistosoma mansoni jumonji/arid domain-containing protein 0.0115 0.1142 0.113
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0122 0.0057
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0163 0.0116
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0464 0.1095
Mycobacterium tuberculosis Conserved protein 0.0036 0.0163 0.0061
Loa Loa (eye worm) hypothetical protein 0.006 0.0464 0.0688
Loa Loa (eye worm) hypothetical protein 0.0052 0.0357 0.0518
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0305 0.3487 0.3478
Brugia malayi Cytochrome P450 family protein 0.0121 0.121 0.3292
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0163 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0163 0.2343
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0163 0.0061
Echinococcus multilocularis lysine specific demethylase 5A 0.0113 0.1113 0.1101
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0163 0.015
Echinococcus granulosus sphingosine kinase 1 0.0538 0.6357 0.6352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0295 0.0282
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0039 0.0985
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0163 0.2343
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0254 0.0249
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0163 0.0116
Plasmodium vivax hypothetical protein, conserved 0.0093 0.0871 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0163 0.0061
Echinococcus multilocularis sphingosine kinase 1 0.0538 0.6357 0.6352
Loa Loa (eye worm) hypothetical protein 0.0033 0.0126 0.0153
Schistosoma mansoni hypothetical protein 0.003 0.0098 0.0084
Trichomonas vaginalis esterase, putative 0.0036 0.0163 0.0116
Mycobacterium ulcerans lipase LipD 0.0036 0.0163 0.0061
Treponema pallidum fructose-bisphosphate aldolase 0.0587 0.6962 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0163 0.0206
Loa Loa (eye worm) jmjC domain-containing protein 0.0115 0.1142 0.1758
Toxoplasma gondii ABC1 family protein 0.0036 0.0163 0.0898
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0374 0.0545
Echinococcus multilocularis 0.0033 0.0125 0.0111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0098 0.0084
Toxoplasma gondii cytochrome p450 superfamily protein 0.0033 0.0125 0.0406
Echinococcus multilocularis tumor protein p63 0.0408 0.4755 0.4747
Echinococcus granulosus lysine specific demethylase 5A 0.0115 0.1142 0.113
Brugia malayi F/Y-rich N-terminus family protein 0.0033 0.0126 0.0098
Brugia malayi Bromodomain containing protein 0.0091 0.0839 0.2198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0391 0.0448
Loa Loa (eye worm) cytochrome P450 0.0033 0.0125 0.0151
Leishmania major cytochrome p450-like protein 0.0033 0.0125 0.106
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0391 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0093 0.0871 0.0859
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0211
Schistosoma mansoni protein phosphatase 2C 0.003 0.0093 0.008
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0391 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0287 0.3259 0.5028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0293 0.0306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0171 0.0128
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0391 0.0879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0254 0.0249
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.0098 0.2497
Schistosoma mansoni phd/f-box containing protein 0.003 0.0093 0.008
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0255 0.5427
Schistosoma mansoni hypothetical protein 0.0033 0.0125 0.0111
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0295 0.0282
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0093 0.008
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0058 0.0044
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0101
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0093 0.0101
Leishmania major hypothetical protein, conserved 0.0036 0.0163 0.2343
Leishmania major cytochrome p450-like protein 0.0053 0.0374 0.9415
Onchocerca volvulus Alhambra homolog 0.0093 0.0871 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0083 0.0001
Schistosoma mansoni hypothetical protein 0.0025 0.0029 0.0016
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0163 0.015
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Mycobacterium leprae Probable lipase LipE 0.0036 0.0163 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0211
Brugia malayi AF-10 protein 0.003 0.0098 0.0014
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0255 0.6514
Brugia malayi Bromodomain containing protein 0.0096 0.0907 0.2398
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0163 0.0122
Giardia lamblia PHD finger protein 15 0.0093 0.0871 0.0731
Onchocerca volvulus 0.006 0.0459 0.4173
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0211
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0053 0.0374 0.04
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0101
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0058 0.0044
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.003 0.0098 0.006
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0587 0.6962 1
Mycobacterium tuberculosis Conserved protein 0.0538 0.6357 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0664 0.0652
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0163 0.0116
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0374 0.0545
Schistosoma mansoni cytochrome P450 0.0033 0.0125 0.0111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0295 0.0282
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0464 0.0688
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0295 0.042
Brugia malayi jmjC domain containing protein 0.003 0.0093 0.0000020266
Plasmodium vivax hypothetical protein, conserved 0.003 0.0098 0.006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0211
Mycobacterium ulcerans hypothetical protein 0.0036 0.0163 0.0061
Brugia malayi cytochrome P450 0.0033 0.0125 0.0093
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0163 0.015
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0163 0.015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0391 0.0572
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0305 0.3487 0.3478
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0163 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.022 0.0199
Echinococcus granulosus peregrin 0.0096 0.0907 0.0894
Schistosoma mansoni jumonji domain containing protein 0.0243 0.2713 0.2703
Brugia malayi MH2 domain containing protein 0.0144 0.15 0.4146
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0163 0.4163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0122 0.0057
Schistosoma mansoni jumonji/arid domain-containing protein 0.0115 0.1142 0.113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0157 0.0107
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0287 0.3259 0.5028
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0093 0.008
Loa Loa (eye worm) CYP4Cod1 0.0053 0.0374 0.0545
Loa Loa (eye worm) hypothetical protein 0.0538 0.6357 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0033 0.0125 0.106
Loa Loa (eye worm) jmjC domain-containing protein 0.0192 0.2095 0.3265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0122 0.0057
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.2539 0.3874
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0391 0.0378
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0093 0.008
Brugia malayi jmjC domain containing protein 0.0305 0.3487 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0032 0.0121 0.0108
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0033 0.0125 0.3185
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0163 0.0116
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0093 0.008
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0254 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0254 0.0249
Giardia lamblia Fructose-bisphosphate aldolase 0.0587 0.6962 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0587 0.6962 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0611 0.0598
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0093 0.008
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0587 0.6962 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.0125 0.0093
Brugia malayi Cytochrome P450 family protein 0.0053 0.0374 0.0828
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0163 0.0061
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0295 0.0282
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0033 0.0125 0.106
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0464 0.1095

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 5.8479 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 14.6892 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 22.3872 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) 25.1189 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) 25.1189 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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