Detailed information for compound 1878083

Basic information

Technical information
  • TDR Targets ID: 1878083
  • Name: N-[[(E)-3-(4-bromophenyl)prop-2-enylidene]ami no]-1,3-benzodioxole-5-carboxamide
  • MW: 373.201 | Formula: C17H13BrN2O3
  • H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)/C=C/C=N\NC(=O)c1ccc2c(c1)OCO2
  • InChi: 1S/C17H13BrN2O3/c18-14-6-3-12(4-7-14)2-1-9-19-20-17(21)13-5-8-15-16(10-13)23-11-22-15/h1-10H,11H2,(H,20,21)/b2-1+,19-9-
  • InChiKey: HLAUOCIWPZYJNQ-LCUBDLGASA-N  


Substructure search Similarity search

Network

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Synonyms

  • BAS 00742393
  • Benzo[1,3]dioxole-5-carboxylic acid [3-(4-bromo-phenyl)-allylidene]-hydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 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
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
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
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 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
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
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
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.2854 0.2591
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0227 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0227 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0227 0.0227
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2196 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0227 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Echinococcus granulosus CTD small phosphatase protein like 0.0015 0.0354 0.0646
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0227 0.0227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2196 1
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0015 0.0354 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0227 0.0227
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0227 0.0227
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0735 0.0735
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0015 0.0354 0.1615
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0735 0.0735
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0735 0.258
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0735 0.2576
Leishmania major DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Leishmania major DNA polymerase eta, putative 0.0023 0.0735 0.2576
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0735 0.0395
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0227 0.1036
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0227 0.1036
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2196 0.2196
Schistosoma mansoni DNA polymerase eta 0.0023 0.0735 0.3348
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0404 0.1417
Trypanosoma brucei unspecified product 0.0016 0.0404 0.1417
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0735 0.258
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0404 0.1417
Trypanosoma brucei unspecified product 0.0016 0.0404 0.1417
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2196 0.2196
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0015 0.0354 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0735 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0227 0.0227
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0735 0.2576
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2196 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0404 0.1417
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0227 0.0227
Giardia lamblia DINP protein human, muc B family 0.0023 0.0735 0.0735
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0735 0.3348
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0227 0.1036
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.2854 1
Trypanosoma cruzi hypothetical protein, conserved 0.0015 0.0354 0.1242
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0735 0.2576
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0227 0.0227
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0015 0.0354 0.1242
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.2854 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0015 0.0346 0.0346
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0735 0.0395
Brugia malayi steroid hormone receptor 0.0012 0.0227 0.0227
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0735 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0227 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0227 0.1036
Loa Loa (eye worm) hypothetical protein 0.0015 0.0354 0.0354
Schistosoma mansoni coup transcription factor 0.0012 0.0227 0.1036
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0015 0.0354 0.1615
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0227 0.0227
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Echinococcus granulosus dna polymerase eta 0.0023 0.0735 0.258
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0015 0.0354 0.0354
Brugia malayi nuclear receptor NHR-88 0.0012 0.0227 0.0227
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0735 0.258
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0227 0.1036
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0227 0.1036
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0735 0.0395
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Schistosoma mansoni hypothetical protein 0.0015 0.0346 0.1576
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.6815 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0227 0.1036
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.2854 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0227 0.0227
Echinococcus multilocularis dna polymerase eta 0.0023 0.0735 0.258
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0735 0.2576
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0735 0.0735
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0227 0.0227
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0227 0.0227
Echinococcus granulosus dna polymerase kappa 0.0023 0.0735 0.258
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.0015 0.0354 0.0646
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0227 0.1036
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.0015 0.0354 0.0354
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0227 0.0227
Leishmania major hypothetical protein, conserved 0.007 0.2854 1
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0015 0.0354 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0735 0.2576
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2196 1
Brugia malayi nuclear hormone receptor 0.0012 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Echinococcus multilocularis 0.0015 0.0354 0.0646
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2196 1
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.0015 0.0354 0.0646
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0227 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Onchocerca volvulus 0.0226 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0735 0.3348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2196 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0735 0.2576
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0227 0.0227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2196 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0227 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Brugia malayi ecdysteroid receptor 0.0012 0.0227 0.0227
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0015 0.0354 1
Trypanosoma brucei unspecified product 0.0023 0.0735 0.2576
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0735 0.0735
Leishmania major hypothetical protein, conserved 0.0015 0.0354 0.1242
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.2854 0.2591
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0735 0.2576
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0227 0.1036
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0227 0.0227
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0227 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0227 0.0227
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0227 0.0227

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.915 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (functional) 7.43 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
IC50 (functional) 11.6 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) 23.5 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in a fluorescence-based, Lymphoid Phosphatase (PTPN22, LYP-1) selectivity Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 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 (functional) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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