Detailed information for compound 1456132

Basic information

Technical information
  • TDR Targets ID: 1456132
  • Name: N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5- f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrroli din-1-yl)benzamide hydrochloride
  • MW: 502.971 | Formula: C23H23ClN4O5S
  • H donors: 0 H acceptors: 4 LogP: 3.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCN(C(=O)c1ccc(cc1)N1C(=O)CCC1=O)c1sc2c(n1)cc1c(c2)OCO1)C.Cl
  • InChi: 1S/C23H22N4O5S.ClH/c1-25(2)9-10-26(23-24-16-11-17-18(32-13-31-17)12-19(16)33-23)22(30)14-3-5-15(6-4-14)27-20(28)7-8-21(27)29;/h3-6,11-12H,7-10,13H2,1-2H3;1H
  • InChiKey: VDNUMEZHLLVLHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxo-1-pyrrolidinyl)benzamide hydrochloride
  • N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-succinimido-benzamide hydrochloride
  • MLS000685328
  • SMR000324090

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii glutathione reductase 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Glutathione reductase, related 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani trypanothione 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
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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi thioredoxin reductase, putative 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major 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
Cryptosporidium hominis thioredoxin 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glutamate receptor 0.0311 0.0469 0.2932
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Echinococcus multilocularis lipoxygenase domain containing protein 0.0038 0.0003 0.0003
Echinococcus granulosus tyrosine kinase 0.0074 0.0065 0.0065
Echinococcus granulosus lipoxygenase domain containing protein 0.0038 0.0003 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0036 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0662 0.1069 0.7256
Echinococcus granulosus GPCR family 3 C terminal 0.0128 0.0157 0.0157
Echinococcus multilocularis glutamate receptor 2 0.0074 0.0065 0.0065
Echinococcus granulosus nmda type glutamate receptor 0.0074 0.0065 0.0065
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0116 0.01
Schistosoma mansoni metabotropic glutamate receptor 0.0385 0.0596 0.4046
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0016 0.2473
Echinococcus granulosus atrial natriuretic peptide receptor 0.0074 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0286 0.0426 0.2663
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0063 0.0063
Echinococcus granulosus receptor type guanylyl cyclase 0.0074 0.0065 0.0065
Echinococcus multilocularis tyrosine kinase 0.0074 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0128 0.0157 0.0982
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0063 0.975
Brugia malayi Guanylyl cyclase protein 23 0.0074 0.0065 0.0504
Loa Loa (eye worm) hypothetical protein 0.0038 0.0003 0.002
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0 0.5
Leishmania major trypanothione reductase 0.0046 0.0016 0.2473
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0063 0.043
Loa Loa (eye worm) glutamate receptor 0.079 0.1288 0.805
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0063 0.043
Echinococcus multilocularis RUN 0.0038 0.0003 0.0003
Brugia malayi glutathione reductase 0.0046 0.0016 0.0125
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0016 0.01
Loa Loa (eye worm) doublecortin family protein 0.0038 0.0003 0.002
Plasmodium falciparum glutathione reductase 0.0046 0.0016 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0038 0.0255
Entamoeba histolytica hypothetical protein 0.0074 0.0065 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0074 0.0065 0.0065
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0063 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0128 0.0157 1
Trypanosoma cruzi extracellular receptor, putative 0.0074 0.0065 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0074 0.0065 0.0065
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0107 0.0121 0.0121
Brugia malayi hypothetical protein 0.0074 0.0065 0.0504
Schistosoma mansoni hypothetical protein 0.0038 0.0003 0.0022
Schistosoma mansoni lipoxygenase 0.0107 0.0121 0.082
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0426 0.0426
Brugia malayi hypothetical protein 0.0038 0.0003 0.0025
Brugia malayi Doublecortin family protein 0.0038 0.0003 0.0025
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0662 0.1069 0.1069
Onchocerca volvulus 0.0074 0.0065 0.4008
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.1661 0.2778 1
Schistosoma mansoni rab6-interacting 0.0038 0.0003 0.0022
Onchocerca volvulus 0.0058 0.0038 0.2227
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0898 0.1473 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0074 0.0065 0.0065
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0074 0.0065 0.0504
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0074 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Trypanosoma brucei trypanothione reductase 0.0046 0.0016 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0136 0.0075
Echinococcus multilocularis Polycystic kidney disease protein 0.0038 0.0003 0.0003
Echinococcus multilocularis lipoxygenase domain containing protein 0.0038 0.0003 0.0003
Brugia malayi metabotropic glutamate receptor type 2 0.0385 0.0596 0.4627
Echinococcus multilocularis nmda type glutamate receptor 0.0074 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0202 0.0284 0.1775
Echinococcus multilocularis receptor type guanylyl cyclase 0.0074 0.0065 0.0065
Echinococcus granulosus RUN 0.0038 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0038 0.0003 0.002
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0116 0.01
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0202 0.0284 0.1775
Schistosoma mansoni protein kinase 0.0074 0.0065 0.0441
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0136 0.012
Echinococcus multilocularis glutamate receptor 2 0.0074 0.0065 0.0065
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0116 0.01
Schistosoma mansoni polycystin 1-related 0.0038 0.0003 0.0022
Loa Loa (eye worm) RGC/RGC protein kinase 0.0074 0.0065 0.0406
Schistosoma mansoni glutamate receptor NMDA 0.0074 0.0065 0.0441
Mycobacterium ulcerans thymidine phosphorylase 0.5886 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0074 0.0065 0.0065
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0063 0.0063
Schistosoma mansoni lipoxygenase 0.0038 0.0003 0.0022
Echinococcus granulosus metabotropic glutamate receptor 5 0.0972 0.16 0.16
Loa Loa (eye worm) RGC/RGC protein kinase 0.0074 0.0065 0.0406
Leishmania major extracellular receptor, putative 0.0074 0.0065 1
Echinococcus multilocularis GPCR, family 3, C terminal 0.0128 0.0157 0.0157
Mycobacterium tuberculosis Probable reductase 0.0104 0.0116 0.01
Echinococcus granulosus glutamate receptor 2 0.0074 0.0065 0.0065
Loa Loa (eye worm) glutathione reductase 0.0046 0.0016 0.01
Brugia malayi Receptor family ligand binding region containing protein 0.0202 0.0284 0.2205
Brugia malayi Metabotropic glutamate receptor precursor. 0.079 0.1288 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.0016 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0074 0.0065 0.0065
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0074 0.0065 0.0406
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0063 0.0047
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0202 0.0284 0.1775
Brugia malayi hypothetical protein 0.0038 0.0003 0.0025
Schistosoma mansoni loxhd1 0.0038 0.0003 0.0022
Schistosoma mansoni tyrosine kinase 0.0074 0.0065 0.0441
Echinococcus granulosus lipoxygenase domain containing protein 0.0038 0.0003 0.0003
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0972 0.16 0.16
Schistosoma mansoni hypothetical protein 0.0128 0.0157 0.1067
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0016 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0426 0.0426
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0107 0.0121 0.0121
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0136 0.012
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0116 0.01
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0038 0.0291
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.1661 0.2778 0.2732
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0128 0.0157 0.122
Onchocerca volvulus Poor gastrulation protein homolog 0.0128 0.0157 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0074 0.0065 0.0504
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0716 0.1161 0.9014
Brugia malayi hypothetical protein 0.0286 0.0426 0.3308
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0074 0.0065 0.0065
Loa Loa (eye worm) RGC/RGC protein kinase 0.0074 0.0065 0.0406
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0074 0.0065 0.0065
Echinococcus granulosus Polycystic kidney disease protein 0.0038 0.0003 0.0003
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0116 0.01
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0136 0.012
Echinococcus multilocularis thymidine phosphorylase 0.5886 1 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0074 0.0065 0.4008
Onchocerca volvulus 0.0074 0.0065 0.4008
Schistosoma mansoni tyrosine kinase 0.0074 0.0065 0.0441
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0017 0.0017
Schistosoma mansoni survival motor neuron protein 0.0058 0.0038 0.0255
Plasmodium vivax glutathione reductase, putative 0.0046 0.0016 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Echinococcus granulosus glutamate receptor 2 0.0074 0.0065 0.0065
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0017 0.0017
Echinococcus granulosus metabotropic glutamate receptor 2 0.0662 0.1069 0.1069
Schistosoma mansoni rab6-interacting 0.0038 0.0003 0.0022
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.5886 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0065 0.0406
Brugia malayi Thioredoxin reductase 0.0046 0.0016 0.0125
Loa Loa (eye worm) hypothetical protein 0.0972 0.16 1
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0074 0.0065 0.0065
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.1661 0.2778 0.2767

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 24.4 uM PubChem BioAssay. Dose-response confirmation of uHTS inhibitor hits of Sentrin-Specific Protease 8 using a kinetic assay with Nedd8 Protein Substrate. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 33.5 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of Sentrin-Specific Protease 8 using Nedd8 Protein Substrate. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0738 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) = 19.9526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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) 39.8107 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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