Detailed information for compound 1358883

Basic information

Technical information
  • TDR Targets ID: 1358883
  • Name: N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin -3-yl)sulfanylacetamide
  • MW: 364.421 | Formula: C19H16N4O2S
  • H donors: 1 H acceptors: 5 LogP: 1.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C(=O)C)CSc1ccc(nn1)c1ccccn1
  • InChi: 1S/C19H16N4O2S/c1-13(24)14-5-4-6-15(11-14)21-18(25)12-26-19-9-8-17(22-23-19)16-7-2-3-10-20-16/h2-11H,12H2,1H3,(H,21,25)
  • InChiKey: ANTJBGLRNQPMBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-acetylphenyl)-2-[6-(2-pyridyl)pyridazin-3-yl]sulfanyl-acetamide
  • N-(3-acetylphenyl)-2-[[6-(2-pyridyl)-3-pyridazinyl]thio]acetamide
  • N-(3-acetylphenyl)-2-[[6-(2-pyridyl)pyridazin-3-yl]thio]acetamide
  • N-(3-ethanoylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-ethanamide
  • ZINC04358202

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.04 0.0364
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.04 0.0302
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0143 0.0054
Loa Loa (eye worm) hypothetical protein 0.0049 0.0659 0.0621
Echinococcus multilocularis cpg binding protein 0.0039 0.047 0.0434
Plasmodium vivax RNA helicase-1, putative 0.0553 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.04 0.04
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0101 0.0011
Treponema pallidum ATP-dependent RNA helicase 0.0553 1 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0209 0.017
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0537 0.0502
Brugia malayi PHD-finger family protein 0.0035 0.04 0.0361
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.02 0.016
Loa Loa (eye worm) hypothetical protein 0.006 0.0866 0.0829
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0289 0.0252
Plasmodium falciparum eukaryotic initiation factor 4A 0.0553 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0655 0.062
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1884 0.1854
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0553 1 1
Brugia malayi Bromodomain containing protein 0.0038 0.0453 0.0414
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.1018 0.0926
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0553 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0101 0.0064
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0101 0.0061
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0617 0.0579
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.04 0.0364
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0553 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0553 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0553 1 1
Brugia malayi jmjC domain containing protein 0.0047 0.0617 0.0579
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.04 0.0302
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0101 0.0011
Schistosoma mansoni cpg binding protein 0.0039 0.047 0.0383
Onchocerca volvulus Alhambra homolog 0.0035 0.04 0.001
Schistosoma mansoni hypothetical protein 0.0035 0.04 0.0313
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0655 0.062
Brugia malayi Bromodomain containing protein 0.0093 0.1463 0.1428
Schistosoma mansoni hypothetical protein 0.0025 0.0209 0.012
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0101 0.0064
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.112 0.1087
Echinococcus granulosus peregrin 0.0038 0.0453 0.0417
Schistosoma mansoni zinc finger protein 0.0026 0.0222 0.0134
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0101 0.0101
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0553 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0129 0.004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0143 0.0054
Brugia malayi MH2 domain containing protein 0.0144 0.2419 0.2389
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.012 0.0031
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0553 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0101 0.0064
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0101 0.0011
Loa Loa (eye worm) hypothetical protein 0.0035 0.04 0.0361
Loa Loa (eye worm) hypothetical protein 0.0085 0.133 0.1295
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0289 0.0252
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0101 0.0101
Leishmania major eukaryotic initiation factor 4a, putative 0.0553 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1884 0.1854
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0553 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0101 0.0011
Loa Loa (eye worm) hypothetical protein 0.0553 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0606 0.0568
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0101 0.0011
Plasmodium falciparum phd finger protein, putative 0.0035 0.04 0.04
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0553 1 0.5
Echinococcus granulosus cpg binding protein 0.0039 0.047 0.0434
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0553 1 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.04 0.0313
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0553 1 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2419 0.2389
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.112 0.1087
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0143 0.0103
Echinococcus granulosus eukaryotic initiation factor 4A 0.0553 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0101 0.0061
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0617 0.0531
Brugia malayi PHD-finger family protein 0.0032 0.0342 0.0303
Echinococcus multilocularis peregrin 0.0038 0.0453 0.0417
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.04 0.0361
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0129 0.0092
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1445 0.1368
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1095 0.1059
Schistosoma mansoni cpg binding protein 0.0035 0.039 0.0303
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0101 0.0064
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0103
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0553 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.0617 0.0581
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1111 0.103
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0143 0.0106
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0101 0.0064
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0553 1 1
Echinococcus granulosus zinc finger protein 0.0026 0.0222 0.0185
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0143 0.0106
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0553 1 0.5
Brugia malayi jmjC domain containing protein 0.0115 0.1884 0.1852
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0289 0.0201
Brugia malayi Bromodomain containing protein 0.0046 0.0605 0.0567
Leishmania major eukaryotic initiation factor 4a, putative 0.0553 1 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0129 0.0092
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.039 0.0351
Loa Loa (eye worm) hypothetical protein 0.0053 0.0739 0.0701
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0617 0.0531
Schistosoma mansoni cpg binding protein 0.0039 0.047 0.0383
Brugia malayi CXXC zinc finger family protein 0.0035 0.039 0.0351
Echinococcus multilocularis zinc finger protein 0.0026 0.0222 0.0185
Schistosoma mansoni bromodomain containing protein 0.0078 0.12 0.112
Brugia malayi isocitrate dehydrogenase 0.0019 0.0101 0.0061
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0129 0.004
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0552 0.0516
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0101 0.0064
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0553 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0552 0.0516
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0553 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2419 0.2389
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0101 0.0011

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 18.526 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) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 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) 29.0929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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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