Detailed information for compound 1369689

Basic information

Technical information
  • TDR Targets ID: 1369689
  • Name: N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxy phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfa nylethanamine
  • MW: 454.373 | Formula: C19H21Cl2N5O2S
  • H donors: 1 H acceptors: 3 LogP: 4.17 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OCc1ccc(cc1Cl)Cl)CNCCSc1nnnn1C
  • InChi: 1S/C19H21Cl2N5O2S/c1-26-19(23-24-25-26)29-9-8-22-11-13-4-3-5-17(27-2)18(13)28-12-14-6-7-15(20)10-16(14)21/h3-7,10,22H,8-9,11-12H2,1-2H3
  • InChiKey: PVLAYILHXSAUPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine
  • N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
  • [2-(2,4-dichlorobenzyl)oxy-3-methoxy-benzyl]-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine
  • N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine
  • STK291314
  • AN-465/42784399
  • N-{2-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzyl}-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
  • NCGC00103037-01

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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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
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
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
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
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
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
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
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 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
Loa Loa (eye worm) phosphatidylinositol 3 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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
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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR 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
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
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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
Loa Loa (eye worm) 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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 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
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
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
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 gambiense phosphatidylinositol 3 kinase, putative 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, 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
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
Schistosoma japonicum ko:K07203 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
Leishmania infantum target of rapamycin (TOR) kinase 2, 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii hypothetical protein 0.0125 0.1306 0.145
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Loa Loa (eye worm) hypothetical protein 0.041 0.4939 0.4726
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0404 0.019
Plasmodium falciparum MO15-related protein kinase 0.0144 0.1552 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0126 0.0053
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Echinococcus granulosus dual specificity 0.0625 0.7671 0.7666
Trichomonas vaginalis serine/threonine kinase, putative 0.0144 0.1552 0.1934
Echinococcus multilocularis dual specificity 0.0094 0.0917 0.0673
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus multilocularis BC026374 protein (S09 family) 0.0069 0.0596 0.0341
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Onchocerca volvulus 0.0125 0.1306 1
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Loa Loa (eye worm) hypothetical protein 0.0125 0.1306 0.094
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0404 0.0186
Entamoeba histolytica hypothetical protein 0.0139 0.1478 0.1636
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0802 0.9925 1
Echinococcus granulosus dual specificity 0.0625 0.7671 0.7666
Onchocerca volvulus 0.0069 0.0596 0.1468
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0.0596 1
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0144 0.1552 0.1197
Loa Loa (eye worm) haspin protein kinase 0.0802 0.9925 0.9922
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0069 0.0596 0.0673
Trichomonas vaginalis CMGC family protein kinase 0.0625 0.7671 1
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus granulosus acetylcholinesterase 0.041 0.4939 0.4838
Echinococcus granulosus mitogen activated protein kinase 15 0.0144 0.1552 0.1332
Echinococcus granulosus tumor protein p63 0.0408 0.4911 0.4809
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0404 0.0143
Brugia malayi Protein kinase domain containing protein 0.0144 0.1552 0.1332
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.0917 0.0882
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus multilocularis acetylcholinesterase 0.041 0.4939 0.4838
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Brugia malayi Endochitinase 0.0088 0.0838 0.0591
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0263 0.0234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0126 0.0053
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.1552 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.0917 0.0882
Schistosoma mansoni serine/threonine kinase 0.0144 0.1552 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Leishmania major serine/threonine kinase-like protein, putative 0.0144 0.1552 0.174
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0404 0.0527
Loa Loa (eye worm) cuticular endochitinase 0.0079 0.0717 0.0326
Giardia lamblia Kinase, CAMK CAMKL 0.0144 0.1552 0.158
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.0596 0.0341
Echinococcus multilocularis hypothetical protein 0.0139 0.1478 0.1254
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0144 0.1552 0.174
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0125 0.1306 0.1077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0122 0.0048
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.0596 0.0341
Echinococcus multilocularis dual specificity 0.0625 0.7671 0.7666
Loa Loa (eye worm) carboxylesterase 0.0069 0.0596 0.02
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus granulosus cyclin dependent kinase 9 0.0144 0.1552 0.1332
Mycobacterium tuberculosis Carboxylesterase LipT 0.0069 0.0596 1
Entamoeba histolytica protein kinase, putative 0.0094 0.0917 0.0878
Echinococcus granulosus serine:threonine protein kinase haspin 0.0802 0.9925 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0125 0.1306 0.1077
Echinococcus multilocularis carboxylesterase 5A 0.041 0.4939 0.4838
Brugia malayi endochitinase 0.0079 0.0717 0.0466
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0263 0.0234
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0144 0.1552 0.1332
Brugia malayi hypothetical protein 0.0802 0.9925 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0.0596 1
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.004 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0086 0.0001
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0404 0.0143
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0086 0.0001
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1549 0.1194
Loa Loa (eye worm) chitinase I 0.0079 0.0717 0.0326
Mycobacterium ulcerans carboxylesterase, LipT 0.0069 0.0596 1
Brugia malayi Carboxylesterase family protein 0.0069 0.0596 0.0341
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0404 0.019
Brugia malayi Cell division protein kinase 2 0.0144 0.1552 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Onchocerca volvulus Putative endochitinase 0.0079 0.0717 0.2917
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0404 0.0527
Brugia malayi hypothetical protein 0.0069 0.0596 0.0341
Brugia malayi Carboxylesterase family protein 0.0069 0.0596 0.0341
Onchocerca volvulus 0.0069 0.0596 0.1468
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0625 0.7671 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0263 0.0234
Giardia lamblia Kinase, CMGC DYRK 0.0625 0.7671 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0125 0.1306 0.1077
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0139 0.1478 0.1254
Entamoeba histolytica chitinase, putative 0.0079 0.0717 0.0608
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0144 0.1552 0.174
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0086 0.0001
Onchocerca volvulus 0.0069 0.0596 0.1468
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Echinococcus granulosus BC026374 protein S09 family 0.0069 0.0596 0.0341
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Loa Loa (eye worm) haspin protein kinase 0.0802 0.9925 0.9922
Brugia malayi Carboxylesterase family protein 0.041 0.4939 0.4838
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0303 0.0287
Echinococcus granulosus carboxylesterase 5A 0.041 0.4939 0.4838
Entamoeba histolytica protein kinase domain containing protein 0.0625 0.7671 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0404 0.0186
Trichomonas vaginalis CMGC family protein kinase 0.0625 0.7671 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1306 0.094
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0625 0.7671 1
Trichomonas vaginalis protein kinase atmrk1, putative 0.0144 0.1552 0.1934
Echinococcus multilocularis neuroligin 0.0069 0.0596 0.0341
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0069 0.0596 0.0341
Echinococcus granulosus serine:threonine protein kinase haspin 0.0802 0.9925 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0802 0.9925 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0069 0.0596 0.0341
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0625 0.7671 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0122 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0086 0.0001
Echinococcus granulosus dual specificity 0.0094 0.0917 0.0673
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Entamoeba histolytica protein kinase, putative 0.0625 0.7671 1
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0404 0.019
Loa Loa (eye worm) hypothetical protein 0.041 0.4939 0.4726
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0404 0.019
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Entamoeba histolytica hypothetical protein 0.0094 0.0917 0.0878
Echinococcus granulosus serine:threonine protein kinase haspin 0.0802 0.9925 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0263 0.0234
Onchocerca volvulus Putative endochitinase 0.0088 0.0838 0.4371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0263 0.0234
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0404 0.042
Giardia lamblia Kinase, CAMK CAMKL 0.0144 0.1552 0.158
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0144 0.1552 0.174
Loa Loa (eye worm) hypothetical protein 0.006 0.0474 0.0072
Loa Loa (eye worm) hypothetical protein 0.0067 0.0569 0.0171
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.0596 0.0341
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0404 0.0143
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Brugia malayi GSG2 0.0802 0.9925 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0162 0.01
Brugia malayi endochitinase 0.0088 0.0838 0.0591
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0404 0.0143
Echinococcus multilocularis tumor protein p63 0.0408 0.4911 0.4809
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Loa Loa (eye worm) carboxylesterase 0.041 0.4939 0.4726
Echinococcus granulosus dual specificity 0.0625 0.7671 0.7666
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus multilocularis dual specificity 0.0625 0.7671 0.7666
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0069 0.0596 0.0341
Loa Loa (eye worm) hypothetical protein 0.0089 0.0842 0.0456
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0404 0.042
Brugia malayi cyclin-dependent kinase 7 homolog 0.0144 0.1552 0.1332
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CMGC family protein kinase 0.0625 0.7671 1
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Brugia malayi MH2 domain containing protein 0.0144 0.1549 0.1328
Onchocerca volvulus Putative endochitinase 0.0088 0.0838 0.4371
Echinococcus granulosus neuroligin 0.0069 0.0596 0.0341
Onchocerca volvulus 0.0069 0.0596 0.1468
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0144 0.1552 0.174
Schistosoma mansoni acetylcholinesterase 0.0069 0.0596 0.0341
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0144 0.1552 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0263 0.0343
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0144 0.1552 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0126 0.0053
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0094 0.0917 0.0882
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus multilocularis dual specificity 0.0625 0.7671 0.7666
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Entamoeba histolytica protein kinase, putative 0.0094 0.0917 0.0878
Loa Loa (eye worm) acetylcholinesterase 1 0.041 0.4939 0.4726
Entamoeba histolytica protein kinase domain containing protein 0.0144 0.1552 0.1737
Schistosoma mansoni hypothetical protein 0.0125 0.1306 0.1077
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Leishmania major chitinase 0.0079 0.0717 0.0612
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus multilocularis cyclin dependent kinase 9 0.0144 0.1552 0.1332
Echinococcus multilocularis para nitrobenzyl esterase 0.0069 0.0596 0.0341
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0094 0.0917 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0227 0.0186
Schistosoma mansoni hypothetical protein 0.0802 0.9925 1
Trichomonas vaginalis CMGC family protein kinase 0.0625 0.7671 1
Entamoeba histolytica protein kinase domain containing protein 0.0094 0.0917 0.0878
Trypanosoma brucei protein kinase, putative 0.0144 0.1552 0.2024
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.041 0.4939 0.4838
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0144 0.1552 0.1934
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0625 0.7671 0.7573
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0144 0.1552 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0404 0.042
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Onchocerca volvulus Putative endochitinase 0.0079 0.0717 0.2917
Loa Loa (eye worm) carboxylesterase 0.0069 0.0596 0.02
Schistosoma mansoni gliotactin 0.0069 0.0596 0.0341
Brugia malayi Carboxylesterase family protein 0.0069 0.0596 0.0341
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0144 0.1552 0.2024
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0625 0.7671 0.7666
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Trichomonas vaginalis spcc417.12 protein, putative 0.0069 0.0596 0.0673
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Loa Loa (eye worm) hypothetical protein 0.0089 0.0842 0.0456
Echinococcus granulosus acetylcholinesterase 0.041 0.4939 0.4838
Schistosoma mansoni serine/threonine protein kinase 0.0625 0.7671 0.7666
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Echinococcus granulosus serine:threonine protein kinase NLK 0.0144 0.1552 0.1332
Trichomonas vaginalis CMGC family protein kinase 0.0625 0.7671 1
Onchocerca volvulus 0.0069 0.0596 0.1468
Schistosoma mansoni BC026374 protein (S09 family) 0.0069 0.0596 0.0341
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1549 0.1194
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Onchocerca volvulus 0.0125 0.1306 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0177 0.012
Brugia malayi Carboxylesterase family protein 0.041 0.4939 0.4838
Onchocerca volvulus Putative endochitinase 0.0088 0.0838 0.4371
Echinococcus multilocularis acetylcholinesterase 0.041 0.4939 0.4838
Schistosoma mansoni hypothetical protein 0.0139 0.1478 0.1254
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.1552 0.1934
Echinococcus granulosus para nitrobenzyl esterase 0.0069 0.0596 0.0341
Trichomonas vaginalis CMGC family protein kinase 0.0625 0.7671 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0474 0.0215
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0625 0.7671 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0144 0.1552 0.1737
Loa Loa (eye worm) microfilarial chitinase 0.0077 0.069 0.0298
Trichomonas vaginalis AGC family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.1552 0.1934
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0094 0.0917 0.1195
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0144 0.1552 1
Giardia lamblia Kinase, CAMK CAMKL 0.0144 0.1552 0.158
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0917 0.0673
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Brugia malayi Protein kinase domain containing protein 0.0094 0.0917 0.0673
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.02
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0144 0.1552 0.1197
Brugia malayi Carboxylesterase family protein 0.0069 0.0596 0.0341
Schistosoma mansoni protein kinase 0.0144 0.1552 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0144 0.1552 0.1934

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 11.6681 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) 14.1254 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) = 15.8489 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) 18.3564 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) 23.2809 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 Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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 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) 100 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.
 
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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