Detailed information for compound 1437654

Basic information

Technical information
  • TDR Targets ID: 1437654
  • Name: (E)-N-(2-diethylamino-4-methylquinolin-6-yl)- 3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • MW: 449.542 | Formula: C26H31N3O4
  • H donors: 1 H acceptors: 2 LogP: 4.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1cc(C)c2c(n1)ccc(c2)NC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)CC
  • InChi: 1S/C26H31N3O4/c1-7-29(8-2)24-13-17(3)20-16-19(10-11-21(20)28-24)27-25(30)12-9-18-14-22(31-4)26(33-6)23(15-18)32-5/h9-16H,7-8H2,1-6H3,(H,27,30)/b12-9+
  • InChiKey: FKWDBYYJPGMZMK-FMIVXFBMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-N-(2-diethylamino-4-methyl-6-quinolyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-(2-diethylamino-4-methyl-6-quinolyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
  • (E)-N-(2-diethylamino-4-methyl-quinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • C126-0048
  • NCGC00104274-01

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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major target of rapamycin (TOR) kinase 2, 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
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
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
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
Leishmania infantum target of rapamycin (TOR) kinase 1, putative 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
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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei phosphatidylinositol 3-kinase tor, 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
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
Giardia lamblia GTOR 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 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
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
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
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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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
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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
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
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
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
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
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
Loa Loa (eye worm) phosphatidylinositol 3 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
Trypanosoma congolense 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 infantum target of rapamycin (TOR) kinase 2, putative 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0031 0.0151 0.0151
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0297 0.1498
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0031 0.0151 0.0531
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0433 0.0974
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0297 0.1498
Echinococcus multilocularis tissue type plasminogen activator 0.0041 0.0273 0.0273
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Onchocerca volvulus Netrin receptor homolog 0.0031 0.0151 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0164 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0296 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0126 0.0002
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0433 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0505 0.1772
Echinococcus multilocularis Ankyrin 0.0032 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0164 0.0123
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0081 0.0985
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0433 0.0974
Brugia malayi Kringle domain containing protein 0.0041 0.0273 0.0956
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0039 0.0137
Echinococcus granulosus netrin receptor unc 5 0.0031 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0041 0.0271 0.0271
Toxoplasma gondii PAN domain-containing protein 0.0345 0.4008 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0433 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0041 0.0273 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.016 0.0111
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0041 0.0273 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0296 0.0542
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0271 0.0952
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0192 0.0192
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0505 0.1772
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0209 0.0209
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Toxoplasma gondii PAN domain-containing protein 0.0345 0.4008 1
Brugia malayi Protein kinase domain containing protein 0.0041 0.0273 0.0956
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Brugia malayi Pre-SET motif family protein 0.0251 0.2853 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0209 0.0732
Echinococcus multilocularis netrin receptor unc 5 0.0031 0.0151 0.0151
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0209 0.0427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0335 0.0665
Schistosoma mansoni ankyrin 23/unc44 0.0031 0.0151 0.0151
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0213 0.0278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0296 0.0542
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0262 0.0561
Loa Loa (eye worm) hypothetical protein 0.0032 0.0155 0.0542
Echinococcus granulosus death domain containing protein 0.0031 0.0151 0.0151
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0433 0.0433
Plasmodium falciparum cysteine repeat modular protein 1 0.0041 0.0273 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0209 0.0209
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0209 0.0209
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0433 0.1516
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0151 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0296 0.0542
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3279 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0273 0.0956
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0433 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0039 0.0137
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0039 0.0137
Onchocerca volvulus 0.0286 0.3282 1
Toxoplasma gondii kringle domain-containing protein 0.0041 0.0273 0.0589
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0505 0.1772
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2853 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0271 0.0952
Loa Loa (eye worm) hypothetical protein 0.0031 0.0151 0.0531
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0433 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0296 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.016 0.0111
Echinococcus granulosus Ankyrin 0.0032 0.0155 0.0155
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0164 0.0123
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0433 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0126 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0199 0.0233
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0039 0.0137
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0126 0.0002
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0031 0.0151 0.0151
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1537 0.5387
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Echinococcus granulosus tissue type plasminogen activator 0.0041 0.0273 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0262 0.0432
Loa Loa (eye worm) hypothetical protein 0.0036 0.0209 0.0732
Brugia malayi Death domain containing protein 0.0031 0.0151 0.0531
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1537 0.5387
Giardia lamblia GTOR 0.0054 0.0433 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0031 0.0151 0.0151
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0126 0.0002
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0137
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0505 0.1772
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0433 1
Brugia malayi Protein kinase domain containing protein 0.0031 0.0151 0.0531
Onchocerca volvulus 0.0041 0.0273 0.0721
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0433 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0297 0.6514
Loa Loa (eye worm) TK/ROR protein kinase 0.0041 0.0273 0.0956
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0433 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0433 0.0974
Schistosoma mansoni netrin receptor unc5 0.0031 0.0151 0.0151
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0433 0.0433
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0433 0.1516
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0032 0.0155 0.0155
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0433 1
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0039 0.0137
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0161 0.174 0.174
Brugia malayi MH2 domain containing protein 0.0144 0.1537 0.5387
Onchocerca volvulus 0.0036 0.0209 0.0523
Echinococcus granulosus nuclear factor of activated T cells 5 0.0161 0.174 0.174
Brugia malayi Uncoordinated protein 44 0.0031 0.0151 0.0531
Brugia malayi PAN domain containing protein 0.0022 0.0039 0.0137
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0209 0.0209

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 4.4668 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) 10 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) 10.3992 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) 11.2202 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. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) = 15.8489 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) 15.8489 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) 18.4927 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) 19.9526 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) = 22.3872 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 22.4921 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 31.6228 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) = 31.6228 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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