Detailed information for compound 1241067

Basic information

Technical information
  • TDR Targets ID: 1241067
  • Name: 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylme thyl]-4-phenylpiperazine hydrochloride
  • MW: 414.932 | Formula: C21H27ClN6O
  • H donors: 0 H acceptors: 3 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1nnnc1C(c1ccccc1)N1CCN(CC1)c1ccccc1.Cl
  • InChi: 1S/C21H26N6O.ClH/c1-28-17-16-27-21(22-23-24-27)20(18-8-4-2-5-9-18)26-14-12-25(13-15-26)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H
  • InChiKey: GFOSMQZVLPBZLQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenyl-methyl]-4-phenyl-piperazine hydrochloride
  • 1-[[1-(2-methoxyethyl)-5-tetrazolyl]-phenylmethyl]-4-phenylpiperazine hydrochloride
  • 1-[[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-phenyl-methyl]-4-phenyl-piperazine hydrochloride
  • MLS000121769
  • 1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-phenyl-piperazine
  • SMR000119200

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1289 0.1289
Plasmodium vivax glutathione reductase, putative 0.0057 0.1289 0.5
Schistosoma mansoni alpha-amylase 0.0235 0.8065 1
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4632 0.5744
Echinococcus multilocularis alpha glucosidase 0.0235 0.8065 0.8065
Mycobacterium ulcerans glycosidase 0.0056 0.1251 0.1551
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4078 0.5056
Trichomonas vaginalis amylase, putative 0.0056 0.1251 1
Onchocerca volvulus 0.0058 0.1332 0.5
Schistosoma mansoni alpha-amylase 0.0235 0.8065 1
Entamoeba histolytica alpha-amylase, putative 0.0056 0.1251 0.1551
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Mycobacterium ulcerans maltooligosyltrehalose trehalohydrolase, TreZ 0.0056 0.1251 0.1551
Loa Loa (eye worm) glutathione reductase 0.0057 0.1289 0.1289
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1289 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.1289 0.5
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0056 0.1251 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.1289 1
Loa Loa (eye worm) alpha amylase 0.0235 0.8065 0.8065
Schistosoma mansoni alpha-amylase 0.0235 0.8065 1
Schistosoma mansoni alpha-amylase 0.0235 0.8065 1
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Entamoeba histolytica alpha-amylase family protein 0.0056 0.1251 0.1551
Chlamydia trachomatis glycogen hydrolase 0.0056 0.1251 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1332 0.1332
Brugia malayi glutathione reductase 0.0057 0.1289 0.1289
Mycobacterium ulcerans trehalose synthase TreS 0.0056 0.1251 0.1551
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4078 0.5056
Mycobacterium tuberculosis Trehalose synthase TreS 0.0235 0.8065 1
Entamoeba histolytica alpha-amylase family protein 0.0056 0.1251 0.1551
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.1251 1
Mycobacterium tuberculosis Maltooligosyltrehalose trehalohydrolase TreZ 0.0056 0.1251 0.1551
Trichomonas vaginalis starch branching enzyme II, putative 0.0056 0.1251 1
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0235 0.8065 1
Mycobacterium tuberculosis Probable reductase 0.013 0.4078 0.5056
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0235 0.8065 1
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1289 1
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0056 0.1251 0.1251
Mycobacterium ulcerans maltooligosyltrehalose synthase TreY 0.0056 0.1251 0.1551
Entamoeba histolytica hypothetical protein 0.0056 0.1251 0.1551
Trichomonas vaginalis amylase, putative 0.0056 0.1251 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0056 0.1251 0.1551
Echinococcus granulosus alpha glucosidase 0.0235 0.8065 0.8065
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1289 0.1598
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0056 0.1251 0.5
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0235 0.8065 0.8065
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0056 0.1251 0.1551
Schistosoma mansoni survival motor neuron protein 0.0058 0.1332 0.1652
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4632 0.139
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Schistosoma mansoni starch branching enzyme II 0.0056 0.1251 0.1551
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4632 0.5744
Trichomonas vaginalis amylase, putative 0.0056 0.1251 1
Trichomonas vaginalis amylase, putative 0.0056 0.1251 1
Schistosoma mansoni hypothetical protein 0.0058 0.1332 0.1652
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0235 0.8065 0.8065
Mycobacterium tuberculosis Probable glucanase GlgE 0.0056 0.1251 0.1551
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Entamoeba histolytica alpha-amylase, putative 0.0056 0.1251 0.1551
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0235 0.8065 1
Mycobacterium ulcerans trehalose synthase TreS 0.0235 0.8065 1
Schistosoma mansoni hypothetical protein 0.0056 0.1251 0.1551
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0056 0.1251 0.1251
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1289 0.5
Entamoeba histolytica alpha-amylase family protein 0.0056 0.1251 0.1551
Leishmania major trypanothione reductase 0.0057 0.1289 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4078 0.5056
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4078 0.5056
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Brugia malayi Thioredoxin reductase 0.0057 0.1289 0.1289
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Plasmodium falciparum glutathione reductase 0.0057 0.1289 0.5
Entamoeba histolytica beta/alpha-amylase precursor, putative 0.0056 0.1251 0.1551
Schistosoma mansoni alpha-amylase 0.0235 0.8065 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4632 0.5744
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0056 0.1251 0.1251
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4078 0.5056
Mycobacterium ulcerans glycogen branching protein 0.0056 0.1251 0.1551
Mycobacterium tuberculosis Maltooligosyltrehalose synthase TreY 0.0056 0.1251 0.1551
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1289 0.1289
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1289 0.1289
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0056 0.1251 0.1251
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0056 0.1251 0.1251
Trichomonas vaginalis alpha-amylase, putative 0.0056 0.1251 1
Mycobacterium ulcerans maltooligosyltrehalose synthase TreX 0.0056 0.1251 0.1551
Loa Loa (eye worm) hypothetical protein 0.0056 0.1251 0.1251
Loa Loa (eye worm) alpha amylase 0.0235 0.8065 0.8065
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0056 0.1251 0.1551
Entamoeba histolytica alpha-amylase family protein 0.0056 0.1251 0.1551

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 13.1154 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) 17.7828 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.