Detailed information for compound 458313

Basic information

Technical information
  • TDR Targets ID: 458313
  • Name: tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihy dro-1H-inden-5-yl]-5-fluoroindole-1-carboxyla te
  • MW: 506.588 | Formula: C28H27FN2O4S
  • H donors: 1 H acceptors: 3 LogP: 6.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)c1ccc2c(c1)CC(C2)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C28H27FN2O4S/c1-28(2,3)35-27(32)31-25-12-11-22(29)14-21(25)17-26(31)19-10-9-18-15-23(16-20(18)13-19)30-36(33,34)24-7-5-4-6-8-24/h4-14,17,23,30H,15-16H2,1-3H3
  • InChiKey: JNEJBGJOSRBXQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 2-[2-(benzenesulfonamido)indan-5-yl]-5-fluoro-indole-1-carboxylate
  • 2-[2-(benzenesulfonamido)-5-indanyl]-5-fluoro-1-indolecarboxylic acid tert-butyl ester
  • tert-butyl 5-fluoro-2-[2-(phenylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
  • 2-[2-(benzenesulfonamido)indan-5-yl]-5-fluoro-indole-1-carboxylic acid tert-butyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0016 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0017 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0011 0 0.0001
Brugia malayi Heterochromatin protein 1 0.0068 0.0079 0.0079
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0016 0.9733
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0 0.0009
Toxoplasma gondii histone deacetylase HDAC3 0.0012 0.0002 0.0435
Echinococcus granulosus histone deacetylase 6 0.0041 0.0042 0.1928
Echinococcus granulosus GPCR family 2 0.0015 0.0006 0.0272
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0017 1
Schistosoma mansoni histone deacetylase 4 5 0.0041 0.0042 0.1928
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0017 1
Brugia malayi histone deacetylase 1 (HD1) 0.0012 0.0002 0.0002
Echinococcus multilocularis neuroligin 0.0011 0 0.0001
Schistosoma mansoni hypothetical protein 0.0033 0.0031 0.141
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0026 0.1178
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.011 0.5025
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0009 0.2035
Entamoeba histolytica hypothetical protein 0.0035 0.0033 0.2823
Loa Loa (eye worm) hypothetical protein 0.005 0.0055 0.0055
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.012 0.5506
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0038 0.1205
Echinococcus granulosus acetylcholinesterase 0.0066 0.0077 0.3538
Schistosoma mansoni hypothetical protein 0.004 0.004 0.1823
Loa Loa (eye worm) histone deacetylase 1 0.0012 0.0002 0.0002
Mycobacterium ulcerans hypothetical protein 0.0023 0.0017 1
Echinococcus granulosus histone deacetylase 1 0.0012 0.0002 0.0084
Echinococcus granulosus carboxylesterase 5A 0.0066 0.0077 0.3538
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0006 0.0272
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0079 0.254
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0017 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0033 0.1528
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0017 0.1414
Loa Loa (eye worm) hypothetical protein 0.0035 0.0034 0.0034
Giardia lamblia Histone deacetylase 0.0012 0.0002 0.5
Entamoeba histolytica histone deacetylase, putative 0.0012 0.0002 0.0155
Schistosoma mansoni chromobox protein 0.0068 0.0079 0.3622
Echinococcus multilocularis histone deacetylase 0.0041 0.0042 0.0193
Echinococcus multilocularis histone deacetylase 8 0.0012 0.0002 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.011 0.5025
Onchocerca volvulus 0.0011 0 0.0006
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0176 0.8037
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0 0.0009
Entamoeba histolytica hypothetical protein 0.0035 0.0033 0.2823
Echinococcus multilocularis para nitrobenzyl esterase 0.0011 0 0.0001
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0079 0.0079
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0077 0.0354
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0042 0.1335
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0026 0.0118
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0033 0.1528
Brugia malayi CHE-14 protein 0.0041 0.0042 0.0042
Echinococcus granulosus histone deacetylase 0.0041 0.0042 0.1928
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0042 0.1917
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0016 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0007 0.4278
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni acetylcholinesterase 0.0011 0 0.0009
Plasmodium vivax histone deacetylase, putative 0.0012 0.0002 0.0435
Loa Loa (eye worm) histone deacetylase 11 0.0012 0.0002 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0041 0.1887
Loa Loa (eye worm) hypothetical protein 0.003 0.0026 0.0026
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0026 0.0118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.011 0.0503
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0016 0.9733
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0042 0.1917
Loa Loa (eye worm) hypothetical protein 0.0066 0.0077 0.0077
Echinococcus multilocularis histone deacetylase 3 0.0012 0.0002 0.0008
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0009 0.5074
Trypanosoma brucei histone deacetylase, putative 0.0041 0.0042 0.0103
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0026 0.1178
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0009 0.5074
Echinococcus multilocularis chromobox protein 1 0.0068 0.0079 0.0363
Brugia malayi chromobox protein homolog 3 0.0038 0.0038 0.0038
Echinococcus granulosus chromobox protein 1 0.0068 0.0079 0.3622
Onchocerca volvulus 0.0011 0 0.0006
Plasmodium vivax histone deacetylase 2, putative 0.0041 0.0042 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0011 0 0.0009
Echinococcus granulosus neuroligin 0.0011 0 0.0009
Loa Loa (eye worm) hypothetical protein 0.0081 0.0098 0.0098
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0017 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0006 0.0272
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0016 0.0037
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0007 0.4278
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0017 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0026 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0022 0.0708
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0016 0.9733
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0009 0.2035
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0017 0.1414
Plasmodium vivax histone deacetylase, putative 0.0041 0.0042 1
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0002 0.0059
Schistosoma mansoni histone deacetylase hda2 0.0047 0.0051 0.2332
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0098 0.0098
Echinococcus granulosus chromobox protein 1 0.0068 0.0079 0.3622
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0017 0.0038
Loa Loa (eye worm) hypothetical protein 0.0033 0.0031 0.0031
Onchocerca volvulus 0.0011 0 0.0006
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.2807 0.392 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0017 0.0017
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.2807 0.392 1
Schistosoma mansoni patched 1 0.0041 0.0042 0.1917
Schistosoma mansoni histone deacetylase 0.0012 0.0002 0.0084
Loa Loa (eye worm) carboxylesterase 0.0066 0.0077 0.0077
Plasmodium vivax SET domain protein, putative 0.0029 0.0026 0.6108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0052 0.0052
Brugia malayi histone deacetylase 11 0.0012 0.0002 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0006 0.0006
Schistosoma mansoni chromobox protein 0.0068 0.0079 0.3622
Plasmodium vivax histone deacetylase 1, putative 0.0012 0.0002 0.0435
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Loa Loa (eye worm) histone deacetylase 0.0041 0.0042 0.0042
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0042 0.0192
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0011 0 0.0006
Echinococcus multilocularis protein dispatched 1 0.0047 0.005 0.0229
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.7143 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0098 0.4459
Toxoplasma gondii histone deacetylase HDAC2 0.0012 0.0002 0.0435
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0017 0.0038
Onchocerca volvulus 0.0011 0 0.0006
Leishmania major histone deacetylase, putative 0.0041 0.0042 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0038 0.1205
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0016 0.3862
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0022 0.0708
Brugia malayi hypothetical protein 0.0035 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0035 0.0033 0.1528
Onchocerca volvulus 0.0023 0.0017 0.0536
Echinococcus granulosus Chromobox protein 3 0.0011 0.000000001729 0.00000007902
Echinococcus multilocularis Chromobox protein 3 0.0011 0.000000001729 0.0000000079101
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.0272 0.0272
Trypanosoma brucei histone deacetylase 3 0.0041 0.0042 0.0103
Toxoplasma gondii histone deacetylase HDAC4 0.0012 0.0002 0.0435
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0002 0.0059
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0016 0.3862
Loa Loa (eye worm) histone deacetylase 3 0.0012 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0035 0.0033 0.2823
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.0038
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0016 0.0037
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0033 0.0153
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0118 0.0118
Schistosoma mansoni neuroligin 3 (S09 family) 0.0011 0 0.0009
Onchocerca volvulus 0.0081 0.0098 0.3127
Loa Loa (eye worm) hypothetical protein 0.0048 0.0052 0.0052
Brugia malayi Pre-SET motif family protein 0.0205 0.0272 0.0272
Onchocerca volvulus 0.0041 0.0041 0.1323
Loa Loa (eye worm) hypothetical protein 0.0029 0.0025 0.0025
Trypanosoma brucei histone deacetylase 4 0.0041 0.0042 0.0103
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0002 0.0059
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0012 0.0002 0.0059
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.2807 0.392 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0 0.0009
Loa Loa (eye worm) hypothetical protein 0.0066 0.0077 0.0077
Schistosoma mansoni hypothetical protein 0.0167 0.0219 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0077 0.0354
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0017 0.1414
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0098 0.4459
Schistosoma mansoni histone deacetylase 0.0012 0.0002 0.0084
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0052 0.0052
Schistosoma mansoni histone deacetylase 1 2 3 0.0012 0.0002 0.0084
Entamoeba histolytica hypothetical protein 0.0023 0.0016 0.1376
Echinococcus granulosus histone deacetylase 8 0.0012 0.0002 0.0084
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0017 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0006 0.0027
Leishmania major histone deacetylase, putative 0.0041 0.0042 0.0103
Echinococcus multilocularis expressed conserved protein 0.009 0.011 0.0505
Echinococcus multilocularis histone deacetylase 1 0.0012 0.0002 0.0008
Brugia malayi Histone deacetylase 1 0.0012 0.0002 0.0002
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0012 0.0002 0.0059
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0272
Echinococcus granulosus acetylcholinesterase 0.0066 0.0077 0.3538
Loa Loa (eye worm) hypothetical protein 0.0029 0.0026 0.0026
Toxoplasma gondii histone deacetylase HDAC5 0.0012 0.0002 0.0435
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0272
Echinococcus granulosus BC026374 protein S09 family 0.0011 0 0.0009
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0118 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0031 0.0031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.011 0.011
Echinococcus granulosus para nitrobenzyl esterase 0.0011 0 0.0009
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0118 0.5411
Echinococcus granulosus histone deacetylase 6 0.0047 0.0051 0.2332
Plasmodium falciparum histone deacetylase, putative 0.0041 0.0042 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0042 0.1335
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0006 0.0006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0006 0.0027
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0176 0.0805
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0026 0.6108
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0042 0.1345
Brugia malayi Histone deacetylase family protein 0.0041 0.0042 0.0042
Echinococcus multilocularis histone deacetylase 6 0.0041 0.0042 0.0193
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0038 0.1205
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0007 0.4278
Echinococcus granulosus geminin 0.0167 0.0219 1
Schistosoma mansoni hypothetical protein 0.004 0.004 0.1823
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0272
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0017 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0016 0.3862
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0272
Loa Loa (eye worm) hypothetical protein 0.0041 0.0042 0.0042
Schistosoma mansoni histone deacetylase hda2 0.0012 0.0002 0.0084
Trypanosoma cruzi histone deacetylase, putative 0.0041 0.0042 0.0103
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0098 0.0446
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Echinococcus granulosus histone deacetylase 7 0.0041 0.0042 0.1928
Plasmodium falciparum histone deacetylase 1 0.0012 0.0002 0.0435
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0118 0.0542
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0042 0.1335
Echinococcus multilocularis geminin 0.0167 0.0219 0.1001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.011 0.5025
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0077 0.3538
Schistosoma mansoni BC026374 protein (S09 family) 0.0011 0 0.0009
Echinococcus granulosus histone deacetylase 3 0.0012 0.0002 0.0084
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0002 0.0059
Leishmania major malonyl-coa decarboxylase-like protein 0.2807 0.392 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0006 0.0027
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0024 0.1108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.011 0.5025
Trichomonas vaginalis spcc417.12 protein, putative 0.0011 0 0.0006
Trypanosoma cruzi histone deacetylase, putative 0.0041 0.0042 0.0103
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0026 0.1178
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0016 0.3862
Loa Loa (eye worm) hypothetical protein 0.7143 1 1
Echinococcus multilocularis protein patched 0.0041 0.0042 0.0192
Echinococcus granulosus histone deacetylase 6 0.0041 0.0042 0.1928
Echinococcus multilocularis histone deacetylase 6 0.0041 0.0042 0.0193
Loa Loa (eye worm) histone deacetylase 7A 0.0041 0.0042 0.0042
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0002 0.0059
Trichomonas vaginalis set domain proteins, putative 0.0234 0.0312 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0052 0.0052
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0026 0.1178
Brugia malayi Histone deacetylase family protein 0.0041 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0167 0.0219 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Entamoeba histolytica hypothetical protein 0.0035 0.0033 0.2823
Trypanosoma cruzi histone deacetylase, putative 0.0041 0.0042 0.0103
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0017 1
Schistosoma mansoni histone deacetylase 4 5 0.0041 0.0042 0.1928
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0002 0.0059
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.157 0.2186 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0007 0.4278
Onchocerca volvulus 0.0011 0.000000001729 0.00000005541
Brugia malayi histone deacetylase 3 (HD3) 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Onchocerca volvulus 0.003 0.0026 0.0837
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0077 0.0077
Schistosoma mansoni hypothetical protein 0.004 0.004 0.1823
Echinococcus multilocularis histone deacetylase 6 0.0047 0.0051 0.0233
Echinococcus multilocularis chromobox protein 1 0.0068 0.0079 0.0363
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0017 1
Brugia malayi Carboxylesterase family protein 0.0066 0.0077 0.0077
Echinococcus multilocularis BC026374 protein (S09 family) 0.0011 0 0.0001
Onchocerca volvulus 0.0011 0 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.011 0.0503
Schistosoma mansoni hypothetical protein 0.004 0.004 0.1823
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.011 0.5025
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0079 0.254
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Echinococcus multilocularis histone deacetylase 7 0.0041 0.0042 0.0193
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0012 0.0002 0.0059
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0017 0.0017
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0017 0.0038
Brugia malayi SET domain containing protein 0.0012 0.0002 0.0002
Toxoplasma gondii histone deacetylase HDAC1 0.0041 0.0042 1
Echinococcus granulosus expressed conserved protein 0.009 0.011 0.504
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0042 0.0042
Schistosoma mansoni gliotactin 0.0011 0 0.0009
Brugia malayi Carboxylesterase family protein 0.0066 0.0077 0.0077
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0077 0.0354
Loa Loa (eye worm) hypothetical protein 0.0096 0.0118 0.0118
Plasmodium falciparum histone deacetylase 2 0.0041 0.0042 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0006 0.0006
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0017 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0012 0.0002 0.0059
Onchocerca volvulus 0.0234 0.0312 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.011 0.011

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.5 uM Agonist activity at LXRbeta LBD by HTRF cofactor peptide recruitment assay ChEMBL. 17416521
EC50 (functional) = 1.5 uM Agonist activity at LXRbeta LBD by HTRF cofactor peptide recruitment assay ChEMBL. 17416521

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

1 literature reference was collected for this gene.

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