Detailed information for compound 1270135

Basic information

Technical information
  • TDR Targets ID: 1270135
  • Name: 2-[(5-pyridin-2-yl-4,5-dihydro-1,3,4-thiadiaz ol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)pheny l]acetamide
  • MW: 398.426 | Formula: C16H13F3N4OS2
  • H donors: 2 H acceptors: 2 LogP: 4.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(F)(F)F)CSC1=NNC(S1)c1ccccn1
  • InChi: 1S/C16H13F3N4OS2/c17-16(18,19)10-4-6-11(7-5-10)21-13(24)9-25-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8,14,22H,9H2,(H,21,24)
  • InChiKey: DHPJRZFBJOWYTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(2-pyridyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
  • 2-[[5-(2-pyridyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide
  • 2-[(5-pyridin-2-yl-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide
  • MLS000861739
  • N1-[4-(trifluoromethyl)phenyl]-2-{[5-(2-pyridyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]thio}acetamide
  • SMR000460523

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase 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
Echinococcus granulosus NADP dependent 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense 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
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 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
Toxoplasma gondii 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major 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
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0083 0.023
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0213 0.3756 0.3756
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0001 0.0002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0798 0.0798
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0083 0.023
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0118 0.1915 0.5322
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0473 0.1315
Entamoeba histolytica hypothetical protein 0.0043 0.0473 0.5
Brugia malayi hypothetical protein 0.0043 0.0473 0.0473
Onchocerca volvulus 0.0213 0.3756 0.2747
Loa Loa (eye worm) hypothetical protein 0.0102 0.1613 0.1613
Schistosoma mansoni hypothetical protein 0.0205 0.3598 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.1391 0.778
Onchocerca volvulus 0.0213 0.3756 0.2747
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0473 0.1315
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2426 0.2426
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0001 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0473 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0034 0.0292 0.0813
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2426 0.2426
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0118 0.1915 0.1915
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0122 0.1996 0.1996
Brugia malayi MH2 domain containing protein 0.0144 0.2426 0.2426
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0122 0.1996 0.1996
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0023 0.0083 0.023
Schistosoma mansoni hypothetical protein 0.0043 0.0473 0.1315
Loa Loa (eye worm) hypothetical protein 0.0091 0.1391 0.1391
Loa Loa (eye worm) hypothetical protein 0.0122 0.1996 0.1996
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0798 0.0798
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0023 0.0083 0.023
Loa Loa (eye worm) hypothetical protein 0.0122 0.1996 0.1996
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0001 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0001 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0001 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0034 0.0292 0.0813
Loa Loa (eye worm) runx1 0.0067 0.0931 0.0931
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0083 0.0083
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0118 0.1915 0.5322
Echinococcus granulosus voltage gated potassium channel 0.0034 0.0292 0.0813
Loa Loa (eye worm) hypothetical protein 0.0023 0.0083 0.0083
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0083 0.023
Onchocerca volvulus 0.0213 0.3756 0.2747
Loa Loa (eye worm) hypothetical protein 0.0122 0.1996 0.1996
Loa Loa (eye worm) hypothetical protein 0.0034 0.0292 0.0292
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0473 0.1315
Brugia malayi isocitrate dehydrogenase 0.0019 0.0001 0.0001
Brugia malayi hypothetical protein 0.0122 0.1996 0.1996
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0798 0.0798
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0122 0.1996 0.1996
Brugia malayi Cyclic-nucleotide gated cation channel 0.0023 0.0083 0.0083
Onchocerca volvulus 0.0213 0.3756 0.2747
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0083 0.023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0002
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0083 0.023
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0001 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0429 0.0429
Entamoeba histolytica hypothetical protein 0.0043 0.0473 0.5
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0213 0.3756 0.3756
Schistosoma mansoni lozenge 0.0067 0.0931 0.2589
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0213 0.3756 0.3756
Onchocerca volvulus 0.0535 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1996 0.1996
Onchocerca volvulus 0.0213 0.3756 0.2747
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0001 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.1391 0.1391
Onchocerca volvulus 0.0213 0.3756 0.2747
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0213 0.3756 0.3756
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0001 0.0001
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0083 0.023
Entamoeba histolytica hypothetical protein 0.0043 0.0473 0.5
Onchocerca volvulus 0.0122 0.1996 0.0702
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0083 0.023
Onchocerca volvulus 0.0122 0.1996 0.0702
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0083 0.023
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.1764 1
Onchocerca volvulus 0.0213 0.3756 0.2747
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.1764 1
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0292 0.0813
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0122 0.1996 0.1996
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.2125 0.5905
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0083 0.0083
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0122 0.1996 0.1996
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0023 0.0083 0.023
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0798 0.0798
Schistosoma mansoni hypothetical protein 0.0041 0.0429 0.1191
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0034 0.0292 0.0813
Loa Loa (eye worm) hypothetical protein 0.0091 0.1391 0.1391
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0118 0.1915 0.1915
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0083 0.023
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0292 0.0813
Echinococcus granulosus geminin 0.0205 0.3598 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0083 0.023
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0001 0.0002
Echinococcus multilocularis geminin 0.0205 0.3598 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0034 0.0292 0.0292
Onchocerca volvulus 0.0213 0.3756 0.2747
Loa Loa (eye worm) hypothetical protein 0.0122 0.1996 0.1996
Brugia malayi hypothetical protein 0.0091 0.1391 0.1391
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0023 0.0083 0.023
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0083 0.023
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.2125 0.5905
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0213 0.3756 0.3756
Schistosoma mansoni hypothetical protein 0.0205 0.3598 1
Brugia malayi LBP/BPI 0.0091 0.1391 0.1391
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0083 0.023
Loa Loa (eye worm) hypothetical protein 0.0041 0.0429 0.0429
Echinococcus multilocularis Protein lozenge 0.0067 0.0931 0.2589
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0091 0.1391 0.1391
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0001 0.5
Brugia malayi hypothetical protein 0.0122 0.1996 0.1996
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0023 0.0083 0.023

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 31.5 uM PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1778, AID1785, AID1786, AID2284, AID2285, AID2348, AID2352, AID2357, AID2359, AID2370, AID2420, AID2478, AID2491, AID2492, AID2493, AID2495, AID2497, AID2498, AID2500, AID434981, AID449737, AID463105, AID485352, AID488822, AID488842, AID488935] ChEMBL. No reference
EC50 (functional) = 43.18 um PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [Related pubchem assays: 1444 (E3 Ligase_dose response), 1442 (E3 Ligase_dose response), 1230 (E3 Ligase HTS_1536)] ChEMBL. No reference
IC50 (functional) 7.799 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
IC50 (functional) > 31.5 uM PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1785, AID1786, AID1966, AID2136, AID2285, AID2495, AID434981, AID463105, AID488826, AID488935] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1778, AID1785, AID1786, AID2284, AID2285, AID2348, AID2352, AID2357, AID2359, AID2370, AID2420, AID2478, AID2491, AID2492, AID2493, AID2495, AID2497, AID2498, AID2500, AID434981, AID449737, AID463105, AID488822, AID488842, AID488935] ChEMBL. No reference
Potency (functional) 1.4125 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) 2.0787 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) 2.0787 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) 2.8184 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2643 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 (binding) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) 18.3564 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 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) 23.1093 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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
Homo sapiens 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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