Detailed information for compound 1858434

Basic information

Technical information
  • TDR Targets ID: 1858434
  • Name: [3-[(E)-(pyridine-4-carbonylhydrazinylidene)m ethyl]phenyl] 3-bromobenzoate
  • MW: 424.247 | Formula: C20H14BrN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)C(=O)Oc1cccc(c1)/C=N/NC(=O)c1ccncc1
  • InChi: 1S/C20H14BrN3O3/c21-17-5-2-4-16(12-17)20(26)27-18-6-1-3-14(11-18)13-23-24-19(25)15-7-9-22-10-8-15/h1-13H,(H,24,25)/b23-13+
  • InChiKey: JDYPNLSNVMKDSV-YDZHTSKRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
  • [3-[(pyridine-4-carbonylhydrazono)methyl]phenyl] 3-bromobenzoate
  • [3-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 3-bromobenzoate
  • 3-bromobenzoic acid [3-[[[oxo-(4-pyridyl)methyl]hydrazono]methyl]phenyl] ester
  • 3-bromobenzoic acid [3-[(E)-[[oxo-(4-pyridyl)methyl]hydrazono]methyl]phenyl] ester
  • 3-bromobenzoic acid [3-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] ester
  • 3-bromobenzoic acid [3-[(pyridine-4-carbonylhydrazono)methyl]phenyl] ester
  • [3-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
  • [3-[(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
  • A0739/0034519

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor 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
Leishmania braziliensis trypanothione reductase 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
Plasmodium knowlesi 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
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana trypanothione 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
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis thioredoxin 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
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi 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
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense trypanothione 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
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum 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
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax glutathione 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum glutathione 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
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii 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
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva thioredoxin reductase, putative 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 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) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei thioredoxin 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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase 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 glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.049 0.0113
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.049 0.1146
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.049 0.0113
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.049 0.5
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.1153 0.5098
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.5527 1
Echinococcus granulosus bloom syndrome protein 0.0029 0.1153 0.0884
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.4941 0.8837
Loa Loa (eye worm) hypothetical protein 0.0146 0.7043 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.049 0.0254
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.049 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2024 0.1782
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.049 0.0113
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.049 0.0113
Plasmodium falciparum glutathione reductase 0.0016 0.049 0.1146
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0846 0.0846
Brugia malayi glutathione reductase 0.0046 0.1994 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.049 0.2458
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) RecQ helicase 0.0029 0.1153 0.1271
Schistosoma mansoni DNA helicase recq1 0.0012 0.0296 0.0296
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.049 0.0201
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.049 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.049 0.0113
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0473 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.1994 1
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1153 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0668 0.3353
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.1153 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0296 0.0296
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1994 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1994 0.2517
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.049 0.0254
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.049 0.1146
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.049 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.5527 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.049 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.049 0.1234
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.4941 0.8837
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Schistosoma mansoni hypothetical protein 0.0205 1 1
Leishmania major trypanothione reductase 0.0046 0.1994 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.4941 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2024 0.1782
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.049 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.5527 1
Plasmodium falciparum glutathione reductase 0.0046 0.1994 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.049 0.0113
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1994 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.049 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Echinococcus multilocularis geminin 0.0205 1 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.4941 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.049 0.0113
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.049 0.2458
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.068 0.1263
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.049 0.0113
Brugia malayi Thioredoxin reductase 0.0046 0.1994 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.4941 0.8837
Plasmodium falciparum thioredoxin reductase 0.0016 0.049 0.1146
Toxoplasma gondii thioredoxin reductase 0.0046 0.1994 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.0099
Plasmodium falciparum thioredoxin reductase 0.0046 0.1994 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.049 0.0201
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.049 0.0113
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.1482
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.0099
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.049 0.0113
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.049 0.049
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1994 0.2985
Trypanosoma brucei trypanothione reductase 0.0046 0.1994 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.1482
Loa Loa (eye worm) glutathione reductase 0.0046 0.1994 0.2517
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.5527 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0976 0.4005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.4941 0.8837
Treponema pallidum NADH oxidase 0.0016 0.049 0.5
Echinococcus multilocularis bloom syndrome protein 0.0029 0.1153 0.0884

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 0.1413 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) 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) 14.581 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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.7865 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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