Detailed information for compound 1395674

Basic information

Technical information
  • TDR Targets ID: 1395674
  • Name: ZINC00386814
  • MW: 273.208 | Formula: C12H10F3NO3
  • H donors: 1 H acceptors: 2 LogP: 2.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C=C/C(=O)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C12H10F3NO3/c1-19-11(18)6-5-10(17)16-9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3,(H,16,17)/b6-5+
  • InChiKey: FCSNFSSOGQASAF-AATRIKPKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AQ-360/42595891
  • MLS000704032
  • SMR000230162
  • methyl4-oxo-4-[3-(trifluoromethyl)anilino]-2-butenoate

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 glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni phosphatidylserine receptor 0.0047 0.0552 0.0432
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0248 0.6411 1
Entamoeba histolytica hypothetical protein 0.0043 0.0443 0.0691
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0047 0.0552 0.0862
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0034 0.0173 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0931 0.0879
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0034 0.0173 0.0052
Loa Loa (eye worm) jmjC domain-containing protein 0.017 0.4121 0.4057
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0034 0.0173 0.0065
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0248 0.6411 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0449 0.0353
Loa Loa (eye worm) hypothetical protein 0.0041 0.0376 0.027
Schistosoma mansoni fk506 binding protein 0.0034 0.0173 0.0048
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0248 0.6411 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0248 0.6411 0.6365
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0248 0.6411 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0082 0.1572 1
Echinococcus granulosus FK506 binding protein 2 0.0034 0.0173 0.0048
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0449 0.07
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0214 0.5416 0.5357
Schistosoma mansoni jumonji domain containing protein 0.0291 0.7664 0.7634
Brugia malayi jmjC domain containing protein 0.0047 0.0552 0.0466
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0449 0.07
Echinococcus multilocularis lysine specific demethylase 5A 0.0177 0.4332 0.426
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0248 0.6411 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0047 0.0552 0.271
Echinococcus granulosus peregrin 0.0082 0.1572 0.1464
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0347 0.9275 0.9266
Brugia malayi hypothetical protein 0.0043 0.0443 0.0346
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0034 0.0173 0.5
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0047 0.0552 0.0432
Entamoeba histolytica hypothetical protein 0.0043 0.0443 0.0691
Loa Loa (eye worm) hypothetical protein 0.0047 0.0552 0.0449
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4906 0.4841
Echinococcus granulosus JmjC domain containing protein 4 0.0047 0.0552 0.0432
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0449 0.197
Echinococcus multilocularis JmjC domain containing protein 4 0.0047 0.0552 0.0432
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0034 0.0173 0.0065
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4906 0.4841
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0034 0.0173 0.0048
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0449 0.0344
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0214 0.5416 0.5357
Loa Loa (eye worm) hypothetical protein 0.0047 0.0552 0.0449
Brugia malayi jmjC domain containing protein 0.0047 0.0552 0.0466
Echinococcus granulosus lysine specific demethylase 5A 0.0177 0.4332 0.426
Loa Loa (eye worm) hypothetical protein 0.0214 0.5416 0.5365
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0449 0.0327
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0449 0.07
Brugia malayi jmjC domain containing protein 0.0047 0.0552 0.0466
Brugia malayi Importin beta-1 subunit 0.0035 0.0192 0.0072
Echinococcus granulosus PHD finger protein rhinoceros 0.0082 0.1572 0.1464
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0931 0.0831
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0449 0.07
Schistosoma mansoni jumonji domain containing protein 0.0047 0.0552 0.0432
Leishmania major peptidylprolyl isomerase-like protein 0.0248 0.6411 1
Echinococcus multilocularis phd:f box containing protein 0.0047 0.0552 0.0432
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0248 0.6411 0.6365
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0034 0.0173 0.5
Schistosoma mansoni protein phosphatase 2C 0.0047 0.0552 0.0432
Trichomonas vaginalis fk506-binding protein, putative 0.0034 0.0173 0.027
Loa Loa (eye worm) jmjC domain-containing protein 0.0177 0.4332 0.427
Loa Loa (eye worm) PHD-finger family protein 0.0082 0.1572 0.1479
Brugia malayi jmjC domain containing protein 0.0177 0.4332 0.4597
Echinococcus multilocularis lysine specific demethylase 6a 0.0047 0.0552 0.0432
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0376 0.0273
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0443 0.0321
Loa Loa (eye worm) FKBP5 protein 0.0248 0.6411 0.6372
Brugia malayi jmjC domain containing protein 0.0347 0.9275 1
Onchocerca volvulus 0.0034 0.0173 0.02
Brugia malayi PHD-finger family protein 0.0082 0.1572 0.158
Brugia malayi Bromodomain containing protein 0.0082 0.1572 0.158
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0248 0.6411 0.6365
Trichomonas vaginalis fk506-binding protein, putative 0.0034 0.0173 0.027
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0034 0.0173 0.0052
Plasmodium falciparum importin beta, putative 0.0035 0.0192 0.0029
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Plasmodium vivax importin-beta 2, putative 0.0035 0.0192 0.0029
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0248 0.6411 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0034 0.0173 0.0065
Echinococcus multilocularis peregrin 0.0082 0.1572 0.1464
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0034 0.0173 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0248 0.6411 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.1572 0.2242
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0449 0.07
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0248 0.6411 0.6365
Echinococcus multilocularis 0.0034 0.0173 0.0048
Schistosoma mansoni phd/f-box containing protein 0.0047 0.0552 0.0432
Schistosoma mansoni alpha glucosidase 0.0044 0.0449 0.0327
Loa Loa (eye worm) hypothetical protein 0.0033 0.0126 0.0018
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0192 0.0029
Trichomonas vaginalis immunophilin, putative 0.0248 0.6411 1
Echinococcus multilocularis fk506 binding protein 0.0248 0.6411 0.6365
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0192 0.0131
Loa Loa (eye worm) hypothetical protein 0.0162 0.3884 0.3817
Loa Loa (eye worm) hypothetical protein 0.0082 0.1572 0.1479
Schistosoma mansoni jumonji/arid domain-containing protein 0.0177 0.4332 0.426
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0034 0.0173 0.027
Echinococcus multilocularis PHD finger protein rhinoceros 0.0082 0.1572 0.1464
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.4906 0.5224
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0034 0.0173 0.027
Schistosoma mansoni alpha-glucosidase 0.0169 0.4108 0.4033
Loa Loa (eye worm) hypothetical protein 0.0035 0.0192 0.0084
Trichomonas vaginalis fk506-binding protein, putative 0.0248 0.6411 1
Plasmodium vivax JmjC domain containing protein 0.0047 0.0552 0.0608
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Schistosoma mansoni immunophilin 0.0214 0.5416 0.5357
Echinococcus granulosus importin subunit beta 1 0.0035 0.0192 0.0066
Leishmania major fk506-binding protein 1-like protein 0.0248 0.6411 1
Schistosoma mansoni immunophilin 0.0248 0.6411 0.6365
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0552 0.0449
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0126 0.0018
Echinococcus multilocularis jumonji domain containing 1A 0.0047 0.0552 0.0432
Schistosoma mansoni hypothetical protein 0.0372 1 1
Brugia malayi RNA, U transporter 1 0.0099 0.2061 0.2115
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0248 0.6411 1
Echinococcus granulosus phd:f box containing protein 0.0047 0.0552 0.0432
Schistosoma mansoni hypothetical protein 0.0041 0.0376 0.0253
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0047 0.0552 0.0432
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0443 0.0321
Schistosoma mansoni hypothetical protein 0.0043 0.0443 0.0321
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0248 0.6411 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Trichomonas vaginalis fk506 binding protein, putative 0.0034 0.0173 0.027
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0047 0.0552 0.0608
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0449 0.07
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0047 0.0552 0.0432
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0034 0.0173 0.0052
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0443 0.0691
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0449 0.07
Brugia malayi jmjC domain containing protein 0.0047 0.0552 0.0466
Schistosoma mansoni alpha-glucosidase 0.0169 0.4108 0.4033
Echinococcus multilocularis snurportin 1 0.0372 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0449 0.07
Schistosoma mansoni immunophilin 0.0248 0.6411 0.6365
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0248 0.6411 0.6869
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0248 0.6411 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0047 0.0552 0.0862
Echinococcus granulosus jumonji domain containing 1A 0.0047 0.0552 0.0432
Onchocerca volvulus 0.0034 0.0173 0.02
Onchocerca volvulus Alhambra homolog 0.0082 0.1572 0.6115
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0449 0.07
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0126 0.0018
Entamoeba histolytica hypothetical protein 0.0043 0.0443 0.0691
Echinococcus multilocularis jumonji domain containing protein 0.0114 0.251 0.2414
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0449 0.07
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0248 0.6411 1
Leishmania major hypothetical protein, conserved 0.0047 0.0552 0.0862
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0034 0.0173 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0347 0.9275 0.9266
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0449 0.07
Schistosoma mansoni jumonji/arid domain-containing protein 0.0177 0.4332 0.426
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0552 0.0449
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0248 0.6411 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0449 0.07
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.4906 0.485
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0449 0.07
Schistosoma mansoni importin beta-1 0.0035 0.0192 0.0066
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Echinococcus granulosus jumonji domain containing protein 0.0114 0.251 0.2414
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0248 0.6411 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0931 0.0879
Schistosoma mansoni hypothetical protein 0.0034 0.0173 0.0048
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0443 0.0321
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0248 0.6411 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0192 0.0029
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0552 0.0449
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0173 0.027
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0173 0.027
Loa Loa (eye worm) hypothetical protein 0.0034 0.0173 0.0065
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0248 0.6411 0.6869
Onchocerca volvulus 0.0114 0.2491 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0082 0.1572 0.1464
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0449 0.0327
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0192 0.0066
Plasmodium falciparum phd finger protein, putative 0.0082 0.1572 0.2242
Plasmodium falciparum JmjC domain-containing protein, putative 0.0047 0.0552 0.0608
Trypanosoma brucei glucosidase, putative 0.0044 0.0449 0.0442
Loa Loa (eye worm) hypothetical protein 0.006 0.0931 0.0831
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0248 0.6411 0.6372
Schistosoma mansoni hypothetical protein 0.0082 0.1572 0.1464
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0047 0.0552 0.271
Echinococcus granulosus lysine specific demethylase 6a 0.0047 0.0552 0.0432
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.4906 0.4841
Giardia lamblia PHD finger protein 15 0.0082 0.1572 0.2242
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0173 0.027
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0449 0.07
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0034 0.0173 0.027
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0248 0.6411 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0082 0.1572 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0034 0.0173 0.0048
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0248 0.6411 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 11.07 uM PUBCHEM_BIOASSAY: Inhibitors of Epstein-Barr LMP1 inducible NF-kappaB luciferase reporter Measured in Cell-Based System Using Plate Reader - 2122-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586] ChEMBL. No reference
AC50 (functional) = 47.224 uM PUBCHEM_BIOASSAY: Lymphoblastoid Cells (LCL) Cytotoxicity Secondary Assay Measured in Cell-Based System Using Plate Reader - 2122-03_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586] ChEMBL. No reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 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) 7.3078 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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 (binding) = 28.1838 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 112.2018 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
Plasmodium falciparum ChEMBL23
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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