Detailed information for compound 1458838

Basic information

Technical information
  • TDR Targets ID: 1458838
  • Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-7-ylsulfony l)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquino line-3-carboxylic acid
  • MW: 517.527 | Formula: C24H24FN3O7S
  • H donors: 1 H acceptors: 5 LogP: 2.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)S(=O)(=O)c1ccc3c(c1)OCCO3)c(c2)F
  • InChi: 1S/C24H24FN3O7S/c1-2-26-14-17(24(30)31)23(29)16-12-18(25)20(13-19(16)26)27-5-7-28(8-6-27)36(32,33)15-3-4-21-22(11-15)35-10-9-34-21/h3-4,11-14H,2,5-10H2,1H3,(H,30,31)
  • InChiKey: DIPYPJQGIVRWJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[4-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[4-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[4-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • MLS000761452
  • SMR000371551

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.2565 1
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0153 0.0583
Brugia malayi jmjC domain containing protein 0.0071 0.2632 0.257
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6112 0.6112
Echinococcus granulosus intermediate filament protein 0.0033 0.0802 0.3047
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1261 0.4593
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0802 0.0725
Leishmania major basic transcription factor 3a, putative 0.0042 0.1261 0.4593
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Brugia malayi jmjC domain containing protein 0.0019 0.0153 0.0072
Echinococcus multilocularis transcription factor btf3 0.0042 0.1261 0.4792
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0153 0.0583
Echinococcus multilocularis lamin dm0 0.0033 0.0802 0.3047
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.6112 0.608
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.2565 1
Brugia malayi jmjC domain containing protein 0.0019 0.0153 0.0072
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.2632 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0802 0.0802
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.2632 1
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.2632 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 1 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 1 0.5
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0153 0.0583
Brugia malayi jmjC domain containing protein 0.0019 0.0153 0.0072
Loa Loa (eye worm) hypothetical protein 0.0032 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0033 0.0802 0.0802
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0153 0.0583
Echinococcus granulosus lamin dm0 0.0033 0.0802 0.3047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1881 0.1813
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6112 0.6112
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.6687 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1881 0.7146
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0153
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.2632 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.2565 1
Schistosoma mansoni transcription factor btf3 0.0042 0.1261 0.447
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0153 0.0153
Echinococcus multilocularis musashi 0.0033 0.0802 0.3047
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0153
Echinococcus multilocularis lamin 0.0033 0.0802 0.3047
Echinococcus granulosus transcription factor btf3 0.0042 0.1261 0.4792
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.2632 0.2632
Brugia malayi jmjC domain containing protein 0.0019 0.0153 0.0072
Brugia malayi jmjC domain containing protein 0.0071 0.2632 0.257
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1881 0.7146
Loa Loa (eye worm) ICD-1 protein 0.0042 0.1261 0.1261
Onchocerca volvulus 0.0226 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1881 0.1881
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.2632 1
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0153 0.0583
Schistosoma mansoni lamin 0.0033 0.0802 0.2616
Echinococcus granulosus lamin 0.0033 0.0802 0.3047
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.1261 0.4593
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.2565 0.1492
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 1 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0082 0.0082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1881 0.7146
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.1261 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 1 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0802 0.2616
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.2565 0.1492
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1261 0.4593
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0153 0.0583
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0153 0.0583
Toxoplasma gondii NAC domain-containing protein 0.0042 0.1261 1
Brugia malayi intermediate filament protein 0.0033 0.0802 0.0725
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0153 0.0153
Echinococcus granulosus phd:f box containing protein 0.0019 0.0153 0.0583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1881 0.6969
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0802 0.0802
Brugia malayi beta-NAC-like protein 0.0042 0.1261 0.1189
Schistosoma mansoni jumonji domain containing protein 0.0071 0.2632 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0153
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1881 0.7146
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0153 0.0583
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.1261 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1881 0.6969
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0153 0.0153
Schistosoma mansoni lamin 0.0033 0.0802 0.2616
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.2632 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0153 0.0583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1881 0.6969
Leishmania major hypothetical protein, conserved 0.007 0.2565 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.898 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
IC50 (functional) 5.48 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 80 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0794 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) 4.6535 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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