Detailed information for compound 1409561

Basic information

Technical information
  • TDR Targets ID: 1409561
  • Name: 7-chloro-N-[3-(trifluoromethyl)phenyl]-2,3-di hydro-1H-cyclopenta[b]quinolin-9-amine
  • MW: 362.776 | Formula: C19H14ClF3N2
  • H donors: 1 H acceptors: 1 LogP: 5.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c(Nc1cccc(c1)C(F)(F)F)c1c(n2)CCC1
  • InChi: 1S/C19H14ClF3N2/c20-12-7-8-17-15(10-12)18(14-5-2-6-16(14)25-17)24-13-4-1-3-11(9-13)19(21,22)23/h1,3-4,7-10H,2,5-6H2,(H,24,25)
  • InChiKey: SLRJVFOUHSSKHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[3-(trifluoromethyl)phenyl]amine
  • NCGC00109103-01
  • C509-1654

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) 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
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 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, 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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
Brugia malayi 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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, 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
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 hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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 mexicana phosphatidylinositol 3-kinase (tor2)-like protein 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
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
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
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
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR 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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
Leishmania donovani Phosphatidylinositol 3-kinase tor1 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
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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania braziliensis target of rapamycin (TOR) kinase 2, 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
Leishmania major 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
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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative 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
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
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
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 granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major target of rapamycin (TOR) kinase 1, 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
Trypanosoma cruzi 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.008 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1524 0.2051
Echinococcus multilocularis Chromobox protein 3 0.0026 0.008 0.0081
Schistosoma mansoni chromobox protein 0.0026 0.008 0.0081
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0429 0.0433
Brugia malayi glutathione reductase 0.0047 0.0344 0.0464
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Echinococcus multilocularis transfer RNA-Lys 0.0072 0.0645 0.065
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0081 0.0985
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Toxoplasma gondii thioredoxin reductase 0.0047 0.0344 0.1121
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0269 0.0362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0125 0.005
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0344 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0219 0.2435 0.2454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0125 0.005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis set domain proteins, putative 0.084 1 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0026 0.008 0.0081
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0429 1
Brugia malayi CHD4 protein 0.0026 0.008 0.0108
Onchocerca volvulus 0.0072 0.0645 0.0573
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3247 0.3273
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0219 0.2435 0.2454
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0429 0.0433
Echinococcus granulosus single minded 2 0.0072 0.0645 0.065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0429 0.0356
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3247 0.3273
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.006 0.0496 0.0667
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Loa Loa (eye worm) hypothetical protein 0.006 0.0501 0.0675
Giardia lamblia GTOR 0.0054 0.0429 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0219 0.2435 0.2454
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0429 0.0577
Schistosoma mansoni chromobox protein 0.0026 0.008 0.0081
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0429 0.0577
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0429 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0429 0.0356
Onchocerca volvulus 0.0672 0.7953 0.7937
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0026 0.008 0.0081
Trichomonas vaginalis hypothetical protein 0.0026 0.008 0.0005
Echinococcus multilocularis chromobox protein 1 0.0026 0.008 0.0081
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Loa Loa (eye worm) heterochromatin protein 1 0.0026 0.008 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0124 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Loa Loa (eye worm) helicase 0.0026 0.008 0.0108
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0219 0.2435 0.2454
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Echinococcus granulosus Chromobox protein 3 0.0026 0.008 0.0081
Schistosoma mansoni hypothetical protein 0.0058 0.0478 0.0481
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0294 0.022
Loa Loa (eye worm) hypothetical protein 0.0453 0.5286 0.7113
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0219 0.2435 0.2454
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0025 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Loa Loa (eye worm) hypothetical protein 0.0286 0.3247 0.437
Brugia malayi hypothetical protein 0.0286 0.3247 0.437
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0294 0.6187
Brugia malayi Associated with TFs and helicases family protein 0.0026 0.008 0.0108
Schistosoma mansoni chromobox protein 0.0026 0.008 0.0081
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0501 0.0675
Brugia malayi Thioredoxin reductase 0.0047 0.0344 0.0464
Loa Loa (eye worm) glutathione reductase 0.0047 0.0344 0.0464
Loa Loa (eye worm) hypothetical protein 0.0219 0.2435 0.3277
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Echinococcus multilocularis chromobox protein 1 0.0026 0.008 0.0081
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0429 1
Onchocerca volvulus 0.006 0.0496 0.0423
Brugia malayi Pre-SET motif family protein 0.0219 0.2435 0.3277
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1524 0.2051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0294 0.022
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9921 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0332 0.0259
Schistosoma mansoni single-minded 0.0097 0.0952 0.096
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0496 0.05
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0672 0.7953 0.8016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0429 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Trichomonas vaginalis Heterochromatin protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Brugia malayi SET domain containing protein 0.0461 0.5384 0.7245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0124 0.0049
Schistosoma mansoni chromobox protein 0.0026 0.008 0.0081
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Brugia malayi hypoxia-induced factor 1 0.0301 0.3434 0.4621
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0429 0.0433
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9921 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9921 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0629 0.7431 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0125 0.005
Echinococcus multilocularis chromobox protein 2 0.0026 0.008 0.0081
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0025 0.0076 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0294 0.022
Echinococcus granulosus tumor protein p63 0.0408 0.4739 0.4777
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0294 0.6514
Plasmodium falciparum thioredoxin reductase 0.0047 0.0344 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.008 0.0005
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0429 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0025 0.0076 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0163 0.0088
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0211 0.2337 0.2355
Loa Loa (eye worm) hypothetical protein 0.0041 0.0269 0.0362
Schistosoma mansoni hypothetical protein 0.0026 0.008 0.0081
Plasmodium vivax SET domain protein, putative 0.0219 0.2435 1
Schistosoma mansoni hypothetical protein 0.0041 0.0269 0.0271
Loa Loa (eye worm) hypothetical protein 0.0326 0.3742 0.5035
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0344 0.0464
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0429 1
Onchocerca volvulus 0.0026 0.008 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Loa Loa (eye worm) hypothetical protein 0.0025 0.0076 0.0102
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0025 0.0076 0.5
Loa Loa (eye worm) CHromoDomain protein family member 0.0026 0.008 0.0108
Brugia malayi hypothetical protein 0.0026 0.008 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0159 0.0084
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.008 0.0005
Schistosoma mansoni aryl hydrocarbon receptor 0.0097 0.0952 0.096
Brugia malayi chromobox protein homolog 3 0.0026 0.008 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0163 0.0088
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Brugia malayi Protein cec-1. 0.0026 0.008 0.0108
Echinococcus granulosus chromobox protein 1 0.0026 0.008 0.0081
Echinococcus granulosus histone lysine methyltransferase setb 0.0219 0.2435 0.2454
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0026 0.008 0.0005
Plasmodium falciparum glutathione reductase 0.0047 0.0344 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0478 0.0481
Leishmania major trypanothione reductase 0.0047 0.0344 0.7604
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0124 0.0049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0125 0.005
Brugia malayi Heterochromatin protein 1 0.0026 0.008 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Loa Loa (eye worm) hypothetical protein 0.0435 0.5071 0.6824
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Trichomonas vaginalis chromobox protein, putative 0.0026 0.008 0.0005
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0026 0.008 0.0081
Echinococcus multilocularis tumor protein p63 0.0408 0.4739 0.4777
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0294 0.022
Brugia malayi bHLH-PAS transcription factor 0.0072 0.0645 0.0867
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Trypanosoma brucei trypanothione reductase 0.0047 0.0344 0.7809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0159 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0211 0.0137
Echinococcus granulosus Chromo domain 0.0026 0.008 0.0081
Plasmodium vivax glutathione reductase, putative 0.0047 0.0344 0.1121
Brugia malayi MH2 domain containing protein 0.0144 0.1524 0.2051
Brugia malayi M-phase phosphoprotein, mpp8 0.0026 0.008 0.0108
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0025 0.0076 0.0102
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0501 0.0675
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0429 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0478 0.0643
Brugia malayi Pre-SET motif family protein 0.0629 0.7431 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Echinococcus granulosus aryl hydrocarbon receptor 0.0025 0.0076 0.0076
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.026 0.0761
Loa Loa (eye worm) hypoxia-induced factor 1 0.0301 0.3434 0.4621
Brugia malayi Valyl-tRNA synthetase 0.0026 0.008 0.0108
Onchocerca volvulus 0.0058 0.0478 0.0405
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0026 0.008 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0294 0.022
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0344 0.1121
Mycobacterium ulcerans putative regulatory protein 0.0072 0.0645 0.5
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0026 0.008 0.0081
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0352 0.0355
Echinococcus multilocularis Chromo domain 0.0026 0.008 0.0081
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0026 0.008 0.0081
Echinococcus granulosus chromobox protein 1 0.0026 0.008 0.0081
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0429 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.026 0.0185
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0026 0.008 0.0081
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0344 0.7604
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0294 0.6187
Brugia malayi PAS domain containing protein 0.0097 0.0952 0.1282
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0026 0.008 0.0005
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0026 0.008 0.0005
Brugia malayi hypothetical protein 0.0326 0.3742 0.5035
Echinococcus granulosus chromobox protein 2 0.0026 0.008 0.0081
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0501 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0163 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.008 0.0005
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0219 0.2435 1
Mycobacterium leprae Possible regulatory protein 0.0025 0.0076 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0197 0.0122
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0108
Onchocerca volvulus 0.0026 0.008 0.0005
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0429 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0352 0.0355
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0026 0.008 0.0005

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 3.9811 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) 5.8479 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.2604 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 16.4816 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (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 p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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