Detailed information for compound 1280790

Basic information

Technical information
  • TDR Targets ID: 1280790
  • Name: 1-[[1-[(4-methylphenyl)methyl]piperidin-4-yl] methyl]-3-(3,4,5-trimethoxyphenyl)urea
  • MW: 427.537 | Formula: C24H33N3O4
  • H donors: 2 H acceptors: 1 LogP: 3.48 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)NCC2CCN(CC2)Cc2ccc(cc2)C)cc(c1OC)OC
  • InChi: 1S/C24H33N3O4/c1-17-5-7-19(8-6-17)16-27-11-9-18(10-12-27)15-25-24(28)26-20-13-21(29-2)23(31-4)22(14-20)30-3/h5-8,13-14,18H,9-12,15-16H2,1-4H3,(H2,25,26,28)
  • InChiKey: QAOKTGLCQQLQGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[1-[(4-methylphenyl)methyl]-4-piperidyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
  • 1-[[1-[(4-methylphenyl)methyl]-4-piperidinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
  • 1-[[1-(4-methylbenzyl)-4-piperidyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
  • C270-0734
  • NCGC00106624-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 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
Giardia lamblia GTOR 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 Phosphatidylinositol 3-kinase tor1 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 mexicana phosphatidylinositol 3-kinase (tor2)-like protein 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
Echinococcus multilocularis FKBP12 rapamycin complex associated 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
Leishmania infantum 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 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
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative 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
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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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 FKBP12-rapamycin complex-associated protein, putative 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
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 congolense Phosphatidylinositol 3-kinase tor1 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
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 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
Neospora caninum Phosphatidylinositol 3-kinase tor2, 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
Echinococcus granulosus FKBP12 rapamycin complex associated protein 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
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
Leishmania mexicana phosphatidylinositol 3 kinase, putative 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
Leishmania braziliensis target of rapamycin (TOR) kinase 2, 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
Loa Loa (eye worm) hypothetical protein 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
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
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0043 0.0482 1
Mycobacterium tuberculosis Probable reductase 0.0126 0.1852 0.8837
Giardia lamblia GTOR 0.0054 0.0663 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0663 0.0612
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0098 0.0045
Brugia malayi hypothetical protein 0.0058 0.0721 0.0721
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.1852 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0084 0.0084
Echinococcus multilocularis cpg binding protein 0.0037 0.0371 0.0305
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Loa Loa (eye worm) hypothetical protein 0.0043 0.0485 0.042
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0084 0.0031
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0068 0.0014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Plasmodium vivax ataxin-2 like protein, putative 0.0058 0.0721 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.062 1 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0086 0.0019
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.0721 0.0672
Echinococcus granulosus cpg binding protein 0.0037 0.0371 0.0305
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0026 0.0195 0.0129
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0681 0.2985
Brugia malayi Bromodomain containing protein 0.0087 0.12 0.12
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0663 0.0612
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0663 0.0599
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.062 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0086 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0663 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0721 0.0658
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0043 0.0482 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.025 0.3702
Schistosoma mansoni ap endonuclease 0.0043 0.0482 0.0431
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0084 0.0031
Onchocerca volvulus 0.0171 0.2592 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.1852 0.8837
Leishmania major 0.062 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0068 0.0916
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0084 0.1168
Brugia malayi CXXC zinc finger family protein 0.0033 0.0304 0.0304
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0043 0.0482 0.1991
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0386 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.1852 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0532 0.8002
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0043 0.0482 0.0431
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0663 0.0612
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0026 0.0195 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0368 0.5501
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0068 0.0014
Schistosoma mansoni cpg binding protein 0.0037 0.0371 0.0319
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0043 0.0482 0.0418
Echinococcus multilocularis dnaJ subfamily B 0.0464 0.7413 0.7395
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0139 0.0086
Plasmodium falciparum ataxin-2 like protein, putative 0.0058 0.0721 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.0681 0.0618
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.2085 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0068 0.0916
Brugia malayi Calcitonin receptor-like protein seb-1 0.0119 0.1724 0.1724
Toxoplasma gondii thioredoxin reductase 0.0055 0.0681 0.0602
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0231 0.3573 0.3538
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0663 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0084 0.0031
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0663 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.025 0.3702
Schistosoma mansoni cpg binding protein 0.0033 0.0304 0.0252
Schistosoma mansoni hypothetical protein 0.0038 0.0386 0.0335
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0086 0.0033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0119 0.1724 0.1724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0251 0.3713
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0386 0.0386
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.062 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Loa Loa (eye worm) hypothetical protein 0.0081 0.1105 0.1044
Loa Loa (eye worm) hypothetical protein 0.008 0.1089 0.1029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0479 0.7204
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0829 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0302 0.4499
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0043 0.0482 0.0418
Trypanosoma brucei PAB1-binding protein , putative 0.0058 0.0721 0.0672
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0068 0.0014
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0386 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0297 0.4418
Echinococcus granulosus fructose 16 bisphosphatase 1 0.062 1 1
Trypanosoma brucei fructose-1,6-bisphosphatase 0.062 1 1
Leishmania major trypanothione reductase 0.0055 0.0681 0.0631
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.062 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0068 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0302 0.4499
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0043 0.0482 0.0418
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0043 0.0482 0.0431
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0231 0.3573 0.3538
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0098 0.0031
Treponema pallidum exodeoxyribonuclease (exoA) 0.0043 0.0482 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0626 0.0576
Plasmodium vivax glutathione reductase, putative 0.0055 0.0681 0.9369
Echinococcus multilocularis GPCR, family 2 0.0038 0.0386 0.0321
Trichomonas vaginalis ap endonuclease, putative 0.0043 0.0482 0.725
Schistosoma mansoni hypothetical protein 0.0038 0.0386 0.0335
Brugia malayi PHD-finger family protein 0.003 0.0264 0.0264
Schistosoma mansoni hypothetical protein 0.0026 0.0195 0.0143
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0043 0.0482 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0302 0.4499
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0386 0.0321
Schistosoma mansoni hypothetical protein 0.0081 0.1105 0.1057
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0906 0.0857
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0663 0.0612
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0191 0.0138
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0663 0.0612
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0626 0.0562
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0626 0.0562
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Plasmodium falciparum glutathione reductase 0.0055 0.0681 0.9369
Toxoplasma gondii fructose-bisphospatase II 0.062 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0663 0.0612
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0626 0.0562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0626 0.0576
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.2085 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0043 0.0482 0.0431
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0626 0.0562
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.1852 0.8837
Loa Loa (eye worm) hypothetical protein 0.0046 0.0529 0.0464
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0386 0.0321
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0084 0.0031
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0231 0.3573 0.3518
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0084 0.0031
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0084 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0251 0.3713
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0663 0.0599
Trichomonas vaginalis ap endonuclease, putative 0.0043 0.0482 0.725
Plasmodium falciparum thioredoxin reductase 0.0055 0.0681 0.9369
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0119 0.1724 0.1667
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0231 0.3573 0.3538
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0663 0.0599
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0914 0.0852
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0068 0.0916
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0084 0.0031
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.0721 0.0672
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Leishmania major hypothetical protein, conserved 0.0058 0.0721 0.0672
Loa Loa (eye worm) hypothetical protein 0.0171 0.2592 0.2541
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0084 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0386 0.0321
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0439 0.0374
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0626 0.0562
Echinococcus multilocularis zinc finger protein 0.0024 0.0164 0.0097
Brugia malayi Thioredoxin reductase 0.0055 0.0681 0.0681
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0068 0.0916
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0663 0.0612
Schistosoma mansoni cpg binding protein 0.0037 0.0371 0.0319
Loa Loa (eye worm) hypothetical protein 0.0119 0.1724 0.1667
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0479 0.7204
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.048 0.0429
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0084 0.0031
Plasmodium falciparum ataxin-2 like protein, putative 0.0058 0.0721 1
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0098 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0479 0.7204
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0386 0.0386
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0084 0.0017
Schistosoma mansoni ap endonuclease 0.0043 0.0482 0.0431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0626 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0479 0.7204
Schistosoma mansoni hypothetical protein 0.0038 0.0386 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0479 0.7204
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0084 0.0031
Loa Loa (eye worm) hypothetical protein 0.0038 0.0386 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.025 0.3702
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0153 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Schistosoma mansoni hypothetical protein 0.0464 0.7413 0.7399
Loa Loa (eye worm) hypothetical protein 0.005 0.0595 0.0531
Brugia malayi exodeoxyribonuclease III family protein 0.0043 0.0482 0.0482
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0084 0.0031
Schistosoma mansoni zinc finger protein 0.0024 0.0164 0.0111
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0043 0.0482 0.6886
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0626 0.0576
Echinococcus granulosus zinc finger protein 0.0024 0.0164 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0663 1
Echinococcus granulosus dnaJ subfamily B 0.0464 0.7413 0.7395
Schistosoma mansoni hypothetical protein 0.0038 0.0386 0.0335
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0681 0.0618
Toxoplasma gondii fructose-bisphospatase I 0.0231 0.3573 0.3518
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0433 0.0352
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.062 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0084 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0251 0.3713
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.048 0.0429
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0043 0.0482 0.6249
Brugia malayi hypothetical protein 0.0037 0.0383 0.0383
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0663 0.0663
Schistosoma mansoni bromodomain containing protein 0.0074 0.0981 0.0932
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0681 0.0631
Schistosoma mansoni hypothetical protein 0.0023 0.0153 0.01
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.2085 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0914 0.0852
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0219 0.0167
Toxoplasma gondii exonuclease III APE 0.0043 0.0482 0.0402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0663 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.2085 1
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0084 0.1168
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0086 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0433 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0251 0.3713
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0068 0.0014
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0068 0.0014
Toxoplasma gondii LsmAD domain-containing protein 0.0058 0.0721 0.0643
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0348 0.5205
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0043 0.0482 0.6249
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0068 0.0068
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0439 0.0374
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.048 0.0429
Brugia malayi hypothetical protein 0.0171 0.2592 0.2592
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0681 0.0618
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.1105 0.1105
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0098 0.0031
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0681 0.0618
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0219 0.0153
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0098 0.0045
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.1852 0.8837
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0304 0.0238
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0084 0.0031
Trypanosoma brucei trypanothione reductase 0.0055 0.0681 0.0631
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0297 0.4418
Echinococcus granulosus GPCR family 2 0.0038 0.0386 0.0321
Brugia malayi glutathione reductase 0.0055 0.0681 0.0681
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0219 0.0153
Brugia malayi Bromodomain containing protein 0.0043 0.0483 0.0483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0068 0.0916
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0068 0.0014
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0681 0.9369

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.4927 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) 26.1216 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) = 28.1838 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
Potency (functional) 29.0929 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) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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