Detailed information for compound 1444665

Basic information

Technical information
  • TDR Targets ID: 1444665
  • Name: 2-[[2-(4-methoxyphenyl)acetyl]amino]-N-phenyl -5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene -3-carboxamide
  • MW: 434.551 | Formula: C25H26N2O3S
  • H donors: 2 H acceptors: 2 LogP: 5.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2
  • InChi: 1S/C25H26N2O3S/c1-30-19-14-12-17(13-15-19)16-22(28)27-25-23(20-10-6-3-7-11-21(20)31-25)24(29)26-18-8-4-2-5-9-18/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3,(H,26,29)(H,27,28)
  • InChiKey: MVQFNQHDRJXJID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxamide
  • 2-[2-(4-methoxyphenyl)ethanoylamino]-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxamide
  • AG-667/13796007
  • NCGC00098651-01
  • STK074631
  • Oprea1_000147

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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 ko:K07203 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 tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, 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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 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
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, 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
Leishmania infantum target of rapamycin (TOR) kinase 1, putative 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
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
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
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) phosphatidylinositol 3 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 FKBP12 rapamycin complex associated protein 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
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
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
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis PIKK family atypical protein kinase 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
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Giardia lamblia GTOR 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
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
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
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
Leishmania donovani Phosphatidylinositol 3-kinase tor2 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
Leishmania mexicana phosphatidylinositol 3 kinase, 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
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 multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.9346 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.004 0.0382
Mycobacterium ulcerans AcrR family transcriptional regulator 0.9346 1 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.087 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0014 0.0116
Echinococcus multilocularis neuroglian 0.0027 0.0004 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Echinococcus granulosus microtubule associated protein 2 0.0833 0.087 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0014 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.001 0.0111
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0245 0.2596
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0026 0.0665
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0892 0.0932 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.0166 0.1742
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0177 0.0166 0.1875
Onchocerca volvulus 0.006 0.004 0.0474
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0041 0.002 0.0177
Schistosoma mansoni titin 0.0053 0.0032 0.0322
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0177 0.0166 0.1868
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0027 0.0004 0.0009
Loa Loa (eye worm) transcription factor SMAD2 0.0107 0.0091 0.0928
Brugia malayi Fibronectin type III domain containing protein 0.0177 0.0166 0.1742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0022 0.0542
Loa Loa (eye worm) hypothetical protein 0.0177 0.0166 0.1742
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0192 0.0182 0.2061
Mycobacterium ulcerans TetR family transcriptional regulator 0.9346 1 0.5
Brugia malayi follicle stimulating hormone receptor 0.0207 0.0198 0.209
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0022 0.0208
Echinococcus multilocularis lachesin 0.0027 0.0004 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.001 0.0111
Giardia lamblia GTOR 0.0054 0.0034 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.0152 0.1705
Onchocerca volvulus Tyrosine kinase homolog 0.0737 0.0767 1
Echinococcus granulosus twitchin 0.0189 0.0179 0.202
Loa Loa (eye worm) TK protein kinase 0.003 0.0008 0.0042
Loa Loa (eye worm) hypothetical protein 0.023 0.0223 0.2351
Schistosoma mansoni cell adhesion molecule 0.0192 0.0182 0.2054
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0003 0.0985
Echinococcus granulosus roundabout 2 0.0027 0.0004 0.0009
Schistosoma mansoni hypothetical protein 0.0152 0.0139 0.1554
Brugia malayi hypothetical protein 0.0043 0.0022 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0015 0.0278
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0014 0.0124
Brugia malayi Immunoglobulin I-set domain containing protein 0.0892 0.0932 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0013 0.0108
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0008 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0007 0.0002
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0027 0.0004 0.0009
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0034 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0014 0.0124
Onchocerca volvulus Huntingtin homolog 0.011 0.0094 0.1177
Loa Loa (eye worm) MH2 domain-containing protein 0.0107 0.0091 0.0928
Schistosoma mansoni cellular tumor antigen P53 0.006 0.004 0.041
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0034 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0207 0.0198 0.209
Echinococcus granulosus peroxidasin 0.0027 0.0004 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0177 0.0166 0.1742
Loa Loa (eye worm) hypothetical protein 0.0204 0.0195 0.205
Echinococcus granulosus defective proboscis extension response 0.0177 0.0166 0.1875
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0034 1
Mycobacterium ulcerans transcriptional regulator 0.9346 1 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0027 0.0004 0.0009
Loa Loa (eye worm) hypothetical protein 0.011 0.0094 0.096
Echinococcus multilocularis roundabout 2 0.0204 0.0195 0.2206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0007 0.0002
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0177 0.0166 0.1868
Echinococcus granulosus roundabout 2 0.0204 0.0195 0.2206
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0034 0.0319
Echinococcus multilocularis Immunoglobulin 0.0177 0.0166 0.1875
Onchocerca volvulus 0.0036 0.0014 0.0141
Echinococcus multilocularis hemicentin 1 0.0053 0.0032 0.0331
Echinococcus granulosus neuroglian 0.0189 0.0179 0.202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0014 0.0116
Schistosoma mansoni vesicular amine transporter 0.0177 0.0166 0.1868
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0034 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0022 0.0542
Echinococcus multilocularis tyrosine protein kinase otk 0.0027 0.0004 0.0009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0034 0.0974
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0034 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0123
Brugia malayi Pre-SET motif family protein 0.0036 0.0014 0.0108
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0019 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.0166 0.1742
Brugia malayi hypothetical protein 0.011 0.0094 0.096
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0027 0.0004 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0034 0.0974
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.003 0.0008 0.0054
Onchocerca volvulus 0.0286 0.0283 0.3656
Onchocerca volvulus 0.0038 0.0016 0.0165
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.0152 0.1712
Schistosoma mansoni nephrin 0.0189 0.0179 0.2014
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0022 0.6514
Loa Loa (eye worm) hypothetical protein 0.0177 0.0166 0.1742
Echinococcus multilocularis roundabout 2 0.0027 0.0004 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0123
Loa Loa (eye worm) TK/ROR protein kinase 0.003 0.0008 0.0042
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0034 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0007 0.0002
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0034 0.035
Echinococcus multilocularis Immunoglobulin 0.0177 0.0166 0.1875
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0034 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0007 0.0002
Echinococcus granulosus neuroglian 0.0027 0.0004 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0022 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0034 0.0342
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.087 1
Brugia malayi hypothetical protein 0.0041 0.002 0.0165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0022 0.0542
Brugia malayi Pre-SET motif family protein 0.0251 0.0245 0.2596
Echinococcus multilocularis hemicentin 1 0.0027 0.0004 0.0009
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.0139 0.1561
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.003 0.0008 0.0054
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0053 0.0032 0.0375
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0027 0.0004 0.0009
Loa Loa (eye worm) hypothetical protein 0.0177 0.0166 0.1742
Schistosoma mansoni thyroid hormone receptor 0.0164 0.0152 0.1705
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0034 0.0974
Loa Loa (eye worm) hypothetical protein 0.011 0.0094 0.096
Echinococcus granulosus hemicentin 1 0.0053 0.0032 0.0331
Onchocerca volvulus 0.0038 0.0016 0.0165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0014 0.0233
Echinococcus granulosus tumor protein p63 0.0408 0.0413 0.4732
Schistosoma mansoni hypothetical protein 0.0043 0.0022 0.0208
Brugia malayi hypothetical protein 0.0177 0.0166 0.1742
Onchocerca volvulus Putative titin 0.0038 0.0016 0.0165
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0027 0.0004 0.0009
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0014 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0123
Onchocerca volvulus 0.0681 0.0706 0.9208
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0019 0.0432
Loa Loa (eye worm) hypothetical protein 0.0177 0.0166 0.1742
Echinococcus granulosus tyrosine protein kinase otk 0.0027 0.0004 0.0009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0014 0.0116
Echinococcus multilocularis roundabout 2 0.0027 0.0004 0.0009
Echinococcus multilocularis peroxidasin 0.0027 0.0004 0.0009
Echinococcus multilocularis neuroglian 0.0189 0.0179 0.202
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0034 1
Echinococcus granulosus contactin 0.0053 0.0032 0.0331
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.0139 0.1561
Echinococcus granulosus lachesin 0.0027 0.0004 0.0009
Onchocerca volvulus Netrin receptor homolog 0.0038 0.0016 0.0165
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0034 0.035
Onchocerca volvulus Huntingtin homolog 0.011 0.0094 0.1177
Echinococcus granulosus roundabout 2 0.0027 0.0004 0.0009
Schistosoma mansoni hypothetical protein 0.0038 0.0016 0.0137
Echinococcus granulosus Immunoglobulin 0.0177 0.0166 0.1875
Plasmodium vivax SET domain protein, putative 0.0036 0.0014 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0022 0.0216
Loa Loa (eye worm) hypothetical protein 0.0192 0.0182 0.1915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0022 0.0542
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0283 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0022 0.0216
Echinococcus multilocularis tumor protein p63 0.0408 0.0413 0.4732
Schistosoma mansoni tyrosine kinase 0.0045 0.0024 0.0231
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0034 1
Brugia malayi MH2 domain containing protein 0.0107 0.0091 0.0928

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 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) 4.6451 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) 9.2683 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) = 10 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) 13.0918 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) 16.3601 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) 16.4816 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) 26.1216 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) 26.1216 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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