Detailed information for compound 1430023

Basic information

Technical information
  • TDR Targets ID: 1430023
  • Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-meth yl-2-oxochromen-7-yl)oxyacetamide
  • MW: 394.396 | Formula: C22H19FN2O4
  • H donors: 2 H acceptors: 2 LogP: 3.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2C)NCCc1c[nH]c2c1cc(F)cc2
  • InChi: 1S/C22H19FN2O4/c1-13-8-22(27)29-20-10-16(3-4-17(13)20)28-12-21(26)24-7-6-14-11-25-19-5-2-15(23)9-18(14)19/h2-5,8-11,25H,6-7,12H2,1H3,(H,24,26)
  • InChiKey: XFAFCQRCPKAKMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methyl-2-oxo-chromen-7-yl)oxy-acetamide
  • N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(4-methyl-2-oxo-7-chromenyl)oxy]acetamide
  • N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(2-keto-4-methyl-chromen-7-yl)oxy-acetamide
  • N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methyl-2-oxo-chromen-7-yl)oxy-ethanamide
  • ZINC06662383

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
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:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Loa Loa (eye worm) 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
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 Probable JmjC domain-containing histone demethylation protein 3B, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Schistosoma mansoni jumonji 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
Echinococcus granulosus 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0031 0.0069 0.0069
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.1615 0.2173
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0058 0.0657 0.0657
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0058 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0055 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1377 0.1924
Brugia malayi polk-prov protein 0.0036 0.0187 0.0187
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.0675 0.4047
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0149 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0058 0.0657 0.0657
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0058 0.0657 0.0884
Trypanosoma brucei DNA polymerase IV, putative 0.0052 0.0537 0.3171
Brugia malayi ImpB/MucB/SamB family protein 0.0058 0.0652 0.0652
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0031 0.0069 0.0092
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0596 0.0833
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0596 0.0596
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0058 0.0657 0.0884
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0031 0.0069 0.0096
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.019 0.0255
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.019 0.0265
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0058 0.0657 0.0884
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0675 0.3526
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0058 0.0657 0.0884
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0325 0.0325
Mycobacterium ulcerans DNA polymerase IV 0.0059 0.0675 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0033 0.0118 0.0159
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.1615 0.2256
Trypanosoma brucei unspecified product 0.0052 0.0537 0.3171
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0058 0.0657 0.0657
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.049 0.049
Brugia malayi photoreceptor-specific nuclear receptor 0.0343 0.6779 0.6779
Brugia malayi nuclear hormone receptor 0.0058 0.0657 0.0657
Echinococcus multilocularis peregrin 0.0035 0.0166 0.0223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0596 0.0833
Entamoeba histolytica hypothetical protein 0.0036 0.019 0.0481
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0058 0.0657 0.0917
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0058 0.0657 0.0657
Echinococcus multilocularis dna polymerase kappa 0.0059 0.0675 0.0909
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0058 0.0657 0.0917
Echinococcus granulosus ecdysone induced protein 78C 0.0058 0.0657 0.0884
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0058 0.0657 0.0657
Schistosoma mansoni coup transcription factor 0.0058 0.0657 0.0917
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Schistosoma mansoni hypothetical protein 0.0361 0.7158 1
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0333 0.6555 0.8823
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0069 0.0096
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.049 0.049
Echinococcus multilocularis ecdysone induced protein 78C 0.0058 0.0657 0.0884
Loa Loa (eye worm) hypothetical protein 0.0034 0.0149 0.0149
Schistosoma mansoni thyroid hormone receptor 0.0186 0.3411 0.4766
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0058 0.0657 0.4067
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0058 0.0652 0.0652
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Loa Loa (eye worm) hypothetical protein 0.0343 0.6779 0.6779
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.0657 0.0884
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0166 0.5
Brugia malayi hypothetical protein 0.0031 0.0069 0.0069
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0058 0.0657 0.0884
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0675 0.3526
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.1615 0.2173
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.1615 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.1615 1
Leishmania major DNA polymerase kappa, putative 0.0039 0.0256 0.0638
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0069
Schistosoma mansoni steroid hormone receptor ad4bp 0.0058 0.0657 0.0917
Echinococcus granulosus dna polymerase kappa 0.0059 0.0675 0.0909
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0069
Brugia malayi nuclear receptor RXR 0.0031 0.0069 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Loa Loa (eye worm) hypothetical protein 0.005 0.049 0.049
Echinococcus multilocularis dna polymerase eta 0.0058 0.0652 0.0877
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.0657 0.0884
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.2165 0.2913
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.019 0.0255
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0033 0.0118 0.0118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0596 0.0802
Plasmodium falciparum phd finger protein, putative 0.0035 0.0166 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0058 0.0657 0.0657
Onchocerca volvulus 0.0055 0.0584 0.3616
Trichomonas vaginalis DNA polymerase eta, putative 0.0059 0.0675 0.1561
Echinococcus granulosus FTZ F1 alpha 0.0058 0.0657 0.0884
Onchocerca volvulus Protein ultraspiracle homolog 0.0058 0.0657 0.4067
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0069
Giardia lamblia DINP protein human, muc B family 0.0039 0.0256 0.0622
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.2165 0.2913
Echinococcus multilocularis geminin 0.0361 0.7158 0.9633
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.1615 0.1615
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0325 0.0437
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0596 0.0596
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0058 0.0657 0.0657
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0059 0.0675 0.1561
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0033 0.0118 0.0165
Schistosoma mansoni terminal deoxycytidyl transferase 0.0033 0.0118 0.0165
Echinococcus multilocularis tumor protein p63 0.0373 0.743 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0058 0.0657 0.0657
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0596 0.0802
Schistosoma mansoni DNA polymerase eta 0.0058 0.0652 0.091
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0058 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0035 0.0166 0.0166
Leishmania major DNA polymerase eta, putative 0.0058 0.0652 0.3364
Mycobacterium ulcerans DNA polymerase IV 0.0059 0.0675 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1886 0.2539
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0033 0.0118 0.0159
Schistosoma mansoni RAR-like nuclear receptor 0.0058 0.0657 0.0917
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0058 0.0657 0.0884
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0493 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0166 0.0166
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1886 0.2539
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.1615 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0187 0.0954
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.0657 0.0657
Trypanosoma brucei polo-like protein kinase 0.0103 0.1615 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0462 0.0622
Onchocerca volvulus 0.0058 0.0657 0.4067
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.0657 0.0917
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0069
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0596 0.0802
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0058 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0187
Onchocerca volvulus Alhambra homolog 0.0035 0.0166 0.1028
Brugia malayi ecdysteroid receptor 0.0058 0.0657 0.0657
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0058 0.0657 0.0917
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0675 0.3526
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0058 0.0657 0.0884
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0058 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0058 0.0657 0.0657
Brugia malayi Steroid receptor seven-up type 2 0.0058 0.0657 0.0657
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0166 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.1615 0.1615
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0187 0.0954
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0058 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0058 0.0657 0.0657
Schistosoma mansoni hypothetical protein 0.0036 0.019 0.0265
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0058 0.0657 0.0657
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0256 1
Entamoeba histolytica hypothetical protein 0.0036 0.019 0.0481
Schistosoma mansoni hypothetical protein 0.0128 0.2165 0.3024
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0325 0.0437
Entamoeba histolytica hypothetical protein 0.0036 0.019 0.0481
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0971 0.0971
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0166 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.0657 0.0884
Echinococcus granulosus tumor protein p63 0.0373 0.743 1
Brugia malayi hypothetical protein 0.0036 0.019 0.019
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.0657 0.0884
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0256 0.1392
Entamoeba histolytica hypothetical protein 0.0036 0.019 0.0481
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.049 0.049
Schistosoma mansoni retinoic acid receptor RXR 0.0058 0.0657 0.0917
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.0675 0.4047
Echinococcus multilocularis FTZ F1 alpha 0.0058 0.0657 0.0884
Brugia malayi nuclear receptor NHR-88 0.0058 0.0657 0.0657
Brugia malayi hypothetical protein 0.0031 0.0069 0.0069
Echinococcus granulosus dna polymerase eta 0.0058 0.0652 0.0877
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.0118 0.0118
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0031 0.0069 0.0092
Trypanosoma cruzi DNA polymerase eta, putative 0.0058 0.0652 0.3364
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0325 0.0454
Brugia malayi steroid hormone receptor 0.0058 0.0657 0.0657
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.1615 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0186 0.3411 0.4591
Brugia malayi PHD-finger family protein 0.0035 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.006 0.0706 0.0706
Brugia malayi jmjC domain containing protein 0.0115 0.1886 0.1886
Echinococcus granulosus geminin 0.0361 0.7158 0.9633
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.1615 1
Onchocerca volvulus Bile acid receptor homolog 0.0058 0.0657 0.4067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0596 0.0833
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0058 0.0657 0.0917
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0058 0.0657 0.0884
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0058 0.0657 0.0657
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0058 0.0657 0.0884
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.0675 0.3526
Schistosoma mansoni nuclear hormone receptor 0.0058 0.0657 0.0917
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0256 0.0638
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0058 0.0657 0.0917
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0058 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0058 0.0657 0.0657
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Brugia malayi Bromodomain containing protein 0.0035 0.0166 0.0166
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0166 0.0223
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0584 0.0816
Brugia malayi jmjC domain containing protein 0.0043 0.0325 0.0325
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 0.6555 0.8823
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0058 0.0657 0.0657
Echinococcus granulosus peregrin 0.0035 0.0166 0.0223
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0325 0.0454
Trypanosoma brucei DNA polymerase eta, putative 0.0058 0.0652 0.3899
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1615 1
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.0232
Giardia lamblia Kinase, PLK 0.0103 0.1615 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0462 0.0622
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Schistosoma mansoni hypothetical protein 0.0034 0.0149 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0675 0.4047
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0069 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0596 0.0802
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0166 0.0232
Schistosoma mansoni hypothetical protein 0.0361 0.7158 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0657 0.0657
Loa Loa (eye worm) steroid hormone receptor 0.0058 0.0657 0.0657
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0166 0.0223
Schistosoma mansoni kinase 0.0052 0.053 0.0741
Schistosoma mansoni thyroid hormone receptor 0.0186 0.3411 0.4766

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.107 um PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists. (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
IC50 (functional) = 8.78 um PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based biochemical high throughput dose response assay to identify inverse agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
Potency (functional) 0.7943 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) 8.9125 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) 12.9953 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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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