Detailed information for compound 1395489

Basic information

Technical information
  • TDR Targets ID: 1395489
  • Name: [1-[(4-fluorophenyl)methyl]-2,3-dimethylindol -5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanon e
  • MW: 442.528 | Formula: C27H27FN4O
  • H donors: 0 H acceptors: 2 LogP: 4.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cn1c(C)c(c2c1ccc(c2)C(=O)N1CCN(CC1)c1ccccn1)C
  • InChi: 1S/C27H27FN4O/c1-19-20(2)32(18-21-6-9-23(28)10-7-21)25-11-8-22(17-24(19)25)27(33)31-15-13-30(14-16-31)26-5-3-4-12-29-26/h3-12,17H,13-16,18H2,1-2H3
  • InChiKey: FUVGHDDERZDCRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-[(4-fluorophenyl)methyl]-2,3-dimethyl-indol-5-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone
  • [1-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-indolyl]-[4-(2-pyridyl)-1-piperazinyl]methanone
  • [1-(4-fluorobenzyl)-2,3-dimethyl-indol-5-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone
  • [1-[(4-fluorophenyl)methyl]-2,3-dimethyl-indol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum basic transcription factor 3a, 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
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
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 expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) 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
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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 Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium knowlesi basic transcription factor 3b, 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 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
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed 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 ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.006 0.0881 0.1676
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0477 0.0897
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2037 0.2027
Entamoeba histolytica hypothetical protein 0.0042 0.0499 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0135 0.0238
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0352 0.0656
Echinococcus multilocularis peregrin 0.0038 0.0412 0.04
Schistosoma mansoni hypothetical protein 0.0019 0.0012 0.0012
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.1053 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0477 0.0897
Echinococcus granulosus zinc finger protein 0.0026 0.015 0.0138
Giardia lamblia PHD finger protein 15 0.0035 0.0352 0.5
Brugia malayi PHD-finger family protein 0.0035 0.0352 0.0656
Schistosoma mansoni hypothetical protein 0.0019 0.0012 0.0012
Echinococcus multilocularis cpg binding protein 0.0039 0.0431 0.0419
Schistosoma mansoni hypothetical protein 0.0035 0.0352 0.0352
Echinococcus multilocularis neutral amino acid transporter A 0.0142 0.2593 0.2584
Echinococcus granulosus excitatory amino acid transporter 2 0.0142 0.2593 0.2584
Brugia malayi beta-NAC-like protein 0.0042 0.0499 0.094
Schistosoma mansoni hypothetical protein 0.0041 0.0477 0.0477
Brugia malayi Bromodomain containing protein 0.0046 0.0584 0.1104
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0142 0.2593 0.5
Echinococcus granulosus cpg binding protein 0.0039 0.0431 0.0419
Echinococcus granulosus transcription factor btf3 0.0042 0.0499 0.0488
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0045 0.0045
Echinococcus multilocularis neutral amino acid transporter A 0.0142 0.2593 0.2584
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0341 0.0634
Schistosoma mansoni transcription factor btf3 0.0042 0.0499 0.0499
Echinococcus multilocularis excitatory amino acid transporter 2 0.0142 0.2593 0.2584
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2037 0.2027
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0642 0.0631
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0499 1
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.1451 0.144
Echinococcus granulosus neutral amino acid transporter 0.0142 0.2593 0.2584
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0045 0.0033
Treponema pallidum glutamate transporter 0.0063 0.0933 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.114 0.2177
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.006 0.0093
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0142 0.2593 0.2584
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0499 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0061 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0075 0.1184 0.2261
Schistosoma mansoni gabp alpha 0.0087 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0049 0.0646 0.1223
Echinococcus granulosus neutral amino acid transporter A 0.0142 0.2593 0.2584
Schistosoma mansoni zinc finger protein 0.0026 0.015 0.015
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0061 0.0049
Echinococcus multilocularis Excitatory amino acid transporter 0.0142 0.2593 0.2584
Loa Loa (eye worm) hypothetical protein 0.006 0.0878 0.167
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0878 0.167
Brugia malayi jmjC domain containing protein 0.0047 0.0598 0.113
Brugia malayi PHD-finger family protein 0.0032 0.0286 0.0528
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0878 0.167
Schistosoma mansoni cpg binding protein 0.0035 0.0341 0.0341
Echinococcus granulosus Excitatory amino acid transporter 0.0142 0.2593 0.2584
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0508 0.0496
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0499 0.2103
Schistosoma mansoni hypothetical protein 0.0019 0.0012 0.0012
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0142 0.2593 0.2593
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0063 0.0933 0.0922
Echinococcus granulosus Excitatory amino acid transporter 0.0142 0.2593 0.2584
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0025 0.0135 0.0135
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0226 0.0214
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.0598 0.0586
Brugia malayi Ets-domain containing protein 0.0087 0.1451 0.2776
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0499 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0045 0.0033
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.1451 0.144
Loa Loa (eye worm) excitatory amino acid transporter 0.0142 0.2593 0.498
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0352 0.034
Echinococcus granulosus excitatory amino acid transporter 3 0.0142 0.2593 0.2584
Brugia malayi Excitatory amino acid transporter 0.0142 0.2593 0.498
Echinococcus multilocularis neutral amino acid transporter A 0.0142 0.2593 0.2584
Schistosoma mansoni cpg binding protein 0.0039 0.0431 0.0431
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0142 0.2593 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0061 0.0061
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.0125 0.0217
Leishmania major basic transcription factor 3a, putative 0.0042 0.0499 1
Echinococcus multilocularis zinc finger protein 0.0026 0.015 0.0138
Echinococcus granulosus excitatory amino acid transporter 2 0.0142 0.2593 0.2584
Loa Loa (eye worm) hypothetical protein 0.0035 0.0352 0.0656
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0878 0.167
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0063 0.0933 0.0933
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0226 0.0226
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0142 0.2593 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0499 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1159 0.1159
Echinococcus granulosus neutral amino acid transporter A 0.0142 0.2593 0.2584
Echinococcus multilocularis transcription factor btf3 0.0042 0.0499 0.0488
Schistosoma mansoni cpg binding protein 0.0039 0.0431 0.0431
Schistosoma mansoni hypothetical protein 0.0019 0.0012 0.0012
Echinococcus multilocularis Excitatory amino acid transporter 0.0142 0.2593 0.2584
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.1169 0.1159
Brugia malayi Bromodomain containing protein 0.0093 0.1558 0.2982
Loa Loa (eye worm) hypothetical protein 0.0053 0.0736 0.1397
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.1169 0.1159
Treponema pallidum glutamate/aspartate transporter 0.0063 0.0933 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0226 0.0214
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0499 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0598 0.113
Loa Loa (eye worm) hypothetical protein 0.0046 0.0586 0.1107
Schistosoma mansoni ets-related 0.0265 0.5195 0.5195
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0063 0.0933 0.0933
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0352 0.0352
Echinococcus multilocularis excitatory amino acid transporter 3 0.0142 0.2593 0.2584
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0642 0.0631
Loa Loa (eye worm) fli-1 protein 0.0265 0.5195 1
Onchocerca volvulus Alhambra homolog 0.0035 0.0352 0.0049
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0598 0.0598
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0499 0.094
Brugia malayi CXXC zinc finger family protein 0.0035 0.0341 0.0634
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0142 0.2593 0.2584
Loa Loa (eye worm) hypothetical protein 0.0021 0.0061 0.0093
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0352 0.034
Brugia malayi Bromodomain containing protein 0.0038 0.0412 0.0772
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0524 0.0513
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0524 0.0513
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0085 0.1408 0.2692
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.1451 0.2776
Schistosoma mansoni hypothetical protein 0.0494 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0598 0.0598
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0499 1
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0499 1
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0499 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0063 0.0933 0.0922
Chlamydia trachomatis glutamate symporter 0.0142 0.2593 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0142 0.2593 0.2584
Echinococcus granulosus sodium:dicarboxylate symporter 0.0142 0.2593 0.2584
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0499 0.5
Brugia malayi Fli-1 protein 0.0265 0.5195 1
Brugia malayi jmjC domain containing protein 0.0115 0.2037 0.3906
Brugia malayi Ets-domain containing protein 0.0087 0.1451 0.2776
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1538 0.1538
Schistosoma mansoni bromodomain containing protein 0.0078 0.126 0.126
Echinococcus granulosus peregrin 0.0038 0.0412 0.04

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.105 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
EC50 (functional) = 145.895 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 12.5893 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 100 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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