Detailed information for compound 1226621

Basic information

Technical information
  • TDR Targets ID: 1226621
  • Name: 4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopipera zin-1-yl]-N-propan-2-ylpiperidine-1-carboxami de
  • MW: 390.452 | Formula: C20H27FN4O3
  • H donors: 1 H acceptors: 3 LogP: 1.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)N1CCC(CC1)N1CCN(C(=O)C1=O)Cc1ccc(cc1)F)C
  • InChi: 1S/C20H27FN4O3/c1-14(2)22-20(28)23-9-7-17(8-10-23)25-12-11-24(18(26)19(25)27)13-15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,28)
  • InChiKey: AGLYXVMZMZDSOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[4-[(4-fluorophenyl)methyl]-2,3-dioxo-piperazin-1-yl]-N-isopropyl-piperidine-1-carboxamide
  • 4-[4-[(4-fluorophenyl)methyl]-2,3-dioxo-1-piperazinyl]-N-isopropyl-1-piperidinecarboxamide
  • 4-[4-(4-fluorobenzyl)-2,3-diketo-piperazin-1-yl]-N-isopropyl-piperidine-1-carboxamide
  • 4-[4-[(4-fluorophenyl)methyl]-2,3-dioxo-piperazin-1-yl]-N-propan-2-yl-piperidine-1-carboxamide
  • G373-0465
  • NCGC00130980-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione 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
Neospora caninum MGC84926 protein, related 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Plasmodium vivax glutathione 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
Plasmodium falciparum thioredoxin reductase 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
Loa Loa (eye worm) thioredoxin 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
Echinococcus multilocularis thioredoxin glutathione 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 glutathione 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Plasmodium vivax thioredoxin reductase, putative 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
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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 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
Trypanosoma brucei trypanothione reductase 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
Neospora caninum Glutathione reductase, related 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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
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 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0443 0.4972 0.4972
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0101 0.0799 0.0799
Echinococcus granulosus glutamate receptor 2 0.0215 0.2193 0.2193
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0257 0.2711 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0886 0.0766
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0289 0.31 0.31
Schistosoma mansoni tyrosine kinase 0.0101 0.0799 0.091
Loa Loa (eye worm) RGC/RGC protein kinase 0.0101 0.0799 0.0678
Echinococcus granulosus glutamate receptor subunit protein glur 0.0074 0.048 0.048
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0294 0.0294
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1068 0.1068
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0294 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0294 1
Loa Loa (eye worm) glutamate receptor 0.0261 0.2756 0.2661
Echinococcus granulosus metabotropic glutamate receptor 2 0.0594 0.6817 0.6817
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0844 0.29
Plasmodium vivax glutathione reductase, putative 0.0046 0.013 0.5
Schistosoma mansoni glutamate receptor kainate 0.0342 0.3746 0.4269
Echinococcus granulosus excitatory amino acid transporter 2 0.0257 0.2711 0.2711
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0208 0.2112 0.2008
Echinococcus multilocularis excitatory amino acid transporter 2 0.0257 0.2711 0.2711
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0294 1
Loa Loa (eye worm) excitatory amino acid transporter 0.0257 0.2711 0.2615
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0101 0.0806 0.0806
Schistosoma mansoni hypothetical protein 0.0123 0.1068 0.1217
Loa Loa (eye worm) hypothetical protein 0.0855 1 1
Schistosoma mansoni glutamate receptor kainate 0.0189 0.1874 0.2136
Brugia malayi Glutamate receptor 2 precursor 0.0189 0.1874 0.2306
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0301 0.0343
Echinococcus granulosus GPCR family 3 C terminal 0.0108 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0594 0.6817 0.6817
Echinococcus multilocularis Excitatory amino acid transporter 0.0257 0.2711 0.2711
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0985 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0257 0.2711 0.2711
Echinococcus granulosus neutral amino acid transporter 0.0257 0.2711 0.2711
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.1369 0.1369
Echinococcus multilocularis tyrosine kinase 0.0101 0.0799 0.0799
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0269 0.2859 0.2859
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0189 0.1874 0.1874
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0101 0.0799 0.0678
Schistosoma mansoni glutamate receptor AMPA 0.0189 0.1874 0.2136
Echinococcus multilocularis neutral amino acid transporter A 0.0257 0.2711 0.2711
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0257 0.2711 0.2711
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0855 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0189 0.1874 0.2136
Echinococcus granulosus nmda type glutamate receptor 0.0116 0.0988 0.0988
Treponema pallidum glutamate/aspartate transporter 0.0114 0.0964 1
Onchocerca volvulus 0.0101 0.0799 0.2064
Plasmodium falciparum glutathione reductase 0.0046 0.013 0.5
Echinococcus multilocularis GPCR, family 3, C terminal 0.0108 0.0886 0.0886
Schistosoma mansoni hypothetical protein 0.0074 0.048 0.0547
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.013 0.0186
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0074 0.048 0.048
Mycobacterium tuberculosis Probable reductase 0.0104 0.0844 0.29
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0294 0.0335
Echinococcus multilocularis glutamate receptor 2 0.0189 0.1874 0.1874
Brugia malayi hypothetical protein 0.0101 0.0799 0.0982
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0114 0.0964 0.1098
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0101 0.0799 0.2064
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0101 0.0806 0.0806
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0443 0.4972 0.4972
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0754 0.8774 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0294 0.0335
Echinococcus granulosus Excitatory amino acid transporter 0.0257 0.2711 0.2711
Brugia malayi Receptor family ligand binding region containing protein 0.0101 0.0799 0.0982
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0844 0.29
Schistosoma mansoni metabotropic glutamate receptor 0.0594 0.6817 0.7769
Loa Loa (eye worm) glutamate receptor 1 0.0189 0.1874 0.1768
Brugia malayi Metabotropic glutamate receptor precursor. 0.0702 0.813 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.013 0.5
Echinococcus granulosus sodium:dicarboxylate symporter 0.0257 0.2711 0.2711
Echinococcus granulosus neutral amino acid transporter A 0.0257 0.2711 0.2711
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0257 0.2711 0.2711
Schistosoma mansoni hypothetical protein 0.0108 0.0886 0.101
Loa Loa (eye worm) glutamate receptor 0.0702 0.813 0.8105
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0101 0.0806 0.0918
Trypanosoma brucei trypanothione reductase 0.0046 0.013 0.5
Echinococcus granulosus neutral amino acid transporter A 0.0257 0.2711 0.2711
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0074 0.048 0.048
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0443 0.4972 0.4972
Schistosoma mansoni thyroid hormone receptor 0.0147 0.1369 0.156
Echinococcus granulosus Excitatory amino acid transporter 0.0257 0.2711 0.2711
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0228 0.2351 0.2351
Echinococcus multilocularis glutamate receptor 2 0.0289 0.31 0.31
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0294 0.2453
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0137 0.0137
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0985 0.3439
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0101 0.0806 0.0685
Echinococcus multilocularis receptor type guanylyl cyclase 0.0101 0.0799 0.0799
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0108 0.0886 0.2427
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0443 0.4972 0.4972
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0114 0.0964 0.0964
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0844 0.29
Schistosoma mansoni tyrosine kinase 0.0101 0.0799 0.091
Loa Loa (eye worm) hypothetical protein 0.0101 0.0799 0.0678
Leishmania major extracellular receptor, putative 0.0101 0.0799 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0108 0.0886 0.109
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0257 0.2711 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0228 0.2351 0.2351
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0114 0.0964 0.0964
Echinococcus multilocularis excitatory amino acid transporter 2 0.0257 0.2711 0.2711
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0985 0.3439
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0294 1
Schistosoma mansoni metabotropic glutamate receptor 0.0362 0.3982 0.4538
Echinococcus multilocularis excitatory amino acid transporter 3 0.0257 0.2711 0.2711
Loa Loa (eye worm) RGC/RGC protein kinase 0.0101 0.0799 0.0678
Echinococcus multilocularis neutral amino acid transporter A 0.0257 0.2711 0.2711
Echinococcus granulosus nmda type glutamate receptor 0.0101 0.0799 0.0799
Trypanosoma cruzi extracellular receptor, putative 0.0101 0.0799 1
Echinococcus multilocularis tumor protein p63 0.0408 0.455 0.455
Echinococcus multilocularis neutral amino acid transporter A 0.0257 0.2711 0.2711
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0208 0.2112 0.2008
Schistosoma mansoni thyroid hormone receptor 0.0147 0.1369 0.156
Brugia malayi Excitatory amino acid transporter 0.0257 0.2711 0.3335
Brugia malayi Thioredoxin reductase 0.0046 0.013 0.016
Echinococcus granulosus tumor protein p63 0.0408 0.455 0.455
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0844 0.29
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0985 0.3439
Echinococcus granulosus glutamate receptor 2 0.0289 0.31 0.31
Treponema pallidum glutamate transporter 0.0114 0.0964 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0114 0.0964 0.1098
Schistosoma mansoni ATP-binding cassette transporter 0.0189 0.1874 0.2136
Brugia malayi Guanylyl cyclase protein 23 0.0101 0.0799 0.0982
Onchocerca volvulus Poor gastrulation protein homolog 0.0108 0.0886 0.2427
Echinococcus granulosus excitatory amino acid transporter 3 0.0257 0.2711 0.2711
Chlamydia trachomatis neutral amino acid transporter 0.0114 0.0964 0.3357
Echinococcus granulosus receptor type guanylyl cyclase 0.0101 0.0799 0.0799
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0074 0.048 0.048
Plasmodium falciparum thioredoxin reductase 0.0046 0.013 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0208 0.2112 0.2598
Echinococcus granulosus glutamate NMDA receptor subunit 0.0189 0.1874 0.1874
Onchocerca volvulus 0.0101 0.0799 0.2064
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0228 0.2351 0.2351
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0257 0.2711 0.309
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0101 0.0799 0.0982
Loa Loa (eye worm) hypothetical protein 0.0208 0.2112 0.2008
Brugia malayi metabotropic glutamate receptor type 2 0.0362 0.3982 0.4898
Echinococcus granulosus atrial natriuretic peptide receptor 0.0101 0.0799 0.0799
Schistosoma mansoni glutamate receptor NMDA 0.0289 0.31 0.3534
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0294 0.0294
Echinococcus multilocularis glutamate receptor 2 0.0215 0.2193 0.2193
Schistosoma mansoni protein kinase 0.0101 0.0799 0.091
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0101 0.0806 0.0918
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0294 0.081
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0257 0.2711 0.5
Brugia malayi glutathione reductase 0.0046 0.013 0.016
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0289 0.31 0.31
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1068 0.1068
Echinococcus multilocularis Excitatory amino acid transporter 0.0257 0.2711 0.2711
Loa Loa (eye worm) glutamate receptor 2 0.0189 0.1874 0.1768
Brugia malayi Glutamate receptor 1 precursor 0.0189 0.1874 0.2306
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0101 0.0806 0.0918
Chlamydia trachomatis glutamate symporter 0.0257 0.2711 1
Schistosoma mansoni glutamate receptor kainate 0.0342 0.3746 0.4269
Loa Loa (eye worm) hypothetical protein 0.006 0.0301 0.0174
Echinococcus granulosus tyrosine kinase 0.0101 0.0799 0.0799
Echinococcus multilocularis nmda type glutamate receptor 0.0101 0.0799 0.0799
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0443 0.4972 0.4972
Echinococcus multilocularis NMDA receptor 0.0228 0.2351 0.2351
Loa Loa (eye worm) hypothetical protein 0.0101 0.0806 0.0685
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0601 0.6904 0.8492
Entamoeba histolytica hypothetical protein 0.0101 0.0799 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0844 0.29
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0443 0.4972 0.4972
Schistosoma mansoni glutamate receptor AMPA 0.0189 0.1874 0.2136
Loa Loa (eye worm) RGC/RGC protein kinase 0.0101 0.0799 0.0678
Echinococcus multilocularis nmda type glutamate receptor 0.0116 0.0988 0.0988

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 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) = 3.9811 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 (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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