Detailed information for compound 1290406

Basic information

Technical information
  • TDR Targets ID: 1290406
  • Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-(ph enylmethyl)indole-2-carboxylic acid
  • MW: 388.434 | Formula: C24H21FN2O2
  • H donors: 2 H acceptors: 2 LogP: 2.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CNCc1c(C(=O)O)n(c2c1cccc2)Cc1ccccc1
  • InChi: 1S/C24H21FN2O2/c25-19-10-6-9-18(13-19)14-26-15-21-20-11-4-5-12-22(20)27(23(21)24(28)29)16-17-7-2-1-3-8-17/h1-13,26H,14-16H2,(H,28,29)
  • InChiKey: NQHICCZPBMKDCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[(3-fluorophenyl)methylamino]methyl]-1-(phenylmethyl)-2-indolecarboxylic acid
  • 1-(benzyl)-3-[[(3-fluorobenzyl)amino]methyl]indole-2-carboxylic acid
  • E693-0228
  • NCGC00141455-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0031 0.0031
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0291 0.1587
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0172 0.0391
Schistosoma mansoni smad1 5 8 and 0.001 0.0031 0.0000046175
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Echinococcus multilocularis Smad4 0.001 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0031 0.0086
Leishmania major DNA polymerase kappa, putative 0.002 0.0291 0.0763
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0046 0.0968 0.094
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0914 0.0914
Echinococcus granulosus cpg binding protein 0.0033 0.0634 0.0634
Echinococcus granulosus flap endonuclease 1 0.0026 0.0458 0.0458
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0291 0.3502
Echinococcus granulosus chromobox protein 1 0.0067 0.1509 0.1509
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0829 0.2348
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.2893
Brugia malayi MH2 domain containing protein 0.0144 0.3486 0.9571
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0291 0.0722
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0141
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0291 0.374
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0717 0.0717
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0291 0.0763
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0914 0.2589
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0172 0.0391
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0269 0.5237
Echinococcus granulosus smad 0.001 0.0031 0.0031
Entamoeba histolytica hypothetical protein 0.0037 0.0717 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0663 0.0634
Schistosoma mansoni DNA polymerase eta 0.002 0.0291 0.0261
Echinococcus granulosus geminin 0.034 0.8511 0.8511
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0291 1
Brugia malayi hypothetical protein 0.0011 0.0061 0.0085
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0141
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0224 0.1123
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1022 0.2746
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0717 0.0689
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0269 0.0269
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.1509 0.4272
Schistosoma mansoni hypothetical protein 0.0041 0.0829 0.0801
Giardia lamblia DINP protein human, muc B family 0.002 0.0291 0.1165
Echinococcus granulosus fetal alzheimer antigen falz 0.0046 0.0968 0.0968
Schistosoma mansoni smad1 5 8 and 0.001 0.0031 0.0000046175
Schistosoma mansoni Smad4 0.001 0.0031 0.0000046175
Echinococcus multilocularis chromobox protein 1 0.0067 0.1509 0.1509
Loa Loa (eye worm) hypothetical protein 0.0076 0.1733 0.4906
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0465 0.2789
Loa Loa (eye worm) hypothetical protein 0.0034 0.0663 0.1876
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0172 0.0172
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0269 0.1435
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0291 0.0763
Schistosoma mansoni bromodomain containing protein 0.001 0.0037 0.0006
Schistosoma mansoni flap endonuclease-1 0.0024 0.0393 0.0363
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0458 0.6547
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0458 0.6046
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0269 0.0269
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0031 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0914 0.0887
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0224 0.1123
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Echinococcus multilocularis chromobox protein 2 0.0011 0.0061 0.0061
Onchocerca volvulus 0.003 0.0539 0.1451
Schistosoma mansoni chromobox protein 0.0011 0.0061 0.0031
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0061 0.0031
Echinococcus multilocularis cpg binding protein 0.0033 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0224 0.1123
Loa Loa (eye worm) hypothetical protein 0.002 0.0291 0.0824
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0061 0.0085
Schistosoma mansoni hypothetical protein 0.003 0.0557 0.0529
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1509 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0291 0.0722
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0031 0.0031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0172 0.0172
Echinococcus granulosus FTZ F1 alpha 0.001 0.0031 0.0031
Brugia malayi Bromodomain containing protein 0.015 0.364 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0269 0.5237
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0149 0.0603
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0458 0.0458
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0269 0.0762
Onchocerca volvulus 0.0011 0.0061 0.0088
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0628 0.1656
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0061 0.0085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0031 0.0086
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0914 0.0914
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0458 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.02 0.02
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0291 0.0291
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Echinococcus multilocularis Chromo domain 0.0011 0.0061 0.0061
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3486 0.9868
Loa Loa (eye worm) hypothetical protein 0.0081 0.1854 0.5248
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0077 0.0047
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0717 0.0717
Brugia malayi CHD4 protein 0.0016 0.02 0.0468
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0031 0.0031
Echinococcus multilocularis dna polymerase kappa 0.002 0.0291 0.0291
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0748 0.205
Echinococcus multilocularis dna polymerase eta 0.002 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0458 0.274
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0458 0.1296
Schistosoma mansoni hypothetical protein 0.034 0.8511 0.8506
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0458 1
Trypanosoma cruzi ISWI complex protein 0.003 0.0557 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Echinococcus granulosus chromobox protein 1 0.0067 0.1509 0.1509
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0269 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0291 0.374
Onchocerca volvulus 0.0012 0.0077 0.0133
Echinococcus granulosus Chromobox protein 3 0.0011 0.0061 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Echinococcus granulosus chromobox protein 2 0.0011 0.0061 0.0061
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0496 0.1403
Echinococcus granulosus dna polymerase kappa 0.002 0.0291 0.0291
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0141
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0094 0.0177
Loa Loa (eye worm) hypothetical protein 0.014 0.3382 0.9573
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0172 0.0172
Schistosoma mansoni chromobox protein 0.0067 0.1509 0.1483
Schistosoma mansoni cpg binding protein 0.0033 0.0634 0.0605
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3486 0.9868
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.012 0.2861 0.2861
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0031 0.0086
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0291 0.0291
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0748 0.4746
Echinococcus granulosus zinc finger protein 0.004 0.0816 0.0816
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0458 0.3313
Leishmania major hypothetical protein, conserved 0.003 0.0557 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0269 0.1435
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0291 0.0763
Echinococcus multilocularis geminin 0.034 0.8511 0.8511
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0172 0.0486
Schistosoma mansoni zinc finger protein 0.003 0.0557 0.0529
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0291 0.0763
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Brugia malayi Flap endonuclease-1 0.0026 0.0458 0.1184
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0914 0.0914
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0061 0.0031
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.012 0.2861 0.2861
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0061 0.0031
Schistosoma mansoni chromobox protein 0.0067 0.1509 0.1483
Entamoeba histolytica hypothetical protein 0.0037 0.0717 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0663 0.0663
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0031 0.0086
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0291 0.0261
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0031 0.0031
Trypanosoma brucei ISWI complex protein 0.003 0.0557 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0224 0.1123
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0031 0.0086
Onchocerca volvulus 0.0028 0.0496 0.1328
Brugia malayi chromobox protein homolog 3 0.0038 0.0748 0.1988
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0224 0.1123
Brugia malayi CXXC zinc finger family protein 0.0028 0.0496 0.1289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0031 0.0086
Schistosoma mansoni cpg binding protein 0.0028 0.0496 0.0467
Schistosoma mansoni ap endonuclease 0.0019 0.0269 0.0239
Echinococcus multilocularis zinc finger protein 0.004 0.0816 0.0816
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0061 0.0085
Schistosoma mansoni smad 0.001 0.0031 0.0000046175
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0914 0.2449
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0031 0.0031
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0647 0.0647
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0291 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0146 0.3532 1
Entamoeba histolytica hypothetical protein 0.0037 0.0717 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.02 0.017
Brugia malayi Heterochromatin protein 1 0.0067 0.1509 0.4095
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0678 0.192
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0269 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.13 0.1274
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0061 0.0061
Echinococcus multilocularis chromobox protein 1 0.0067 0.1509 0.1509
Brugia malayi Protein cec-1. 0.0011 0.0061 0.0085
Schistosoma mansoni hypothetical protein 0.0033 0.0628 0.06
Onchocerca volvulus 0.0146 0.3532 1
Brugia malayi hypothetical protein 0.0037 0.0717 0.1902
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0458 0.766
Onchocerca volvulus 0.0011 0.0061 0.0088
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0269 0.3166
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0031 0.0087
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0822 0.5254
Echinococcus multilocularis smad 0.001 0.0031 0.0031
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0031 0.0000046175
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0269 0.0661
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0663 0.0663
Brugia malayi PHD-finger family protein 0.0051 0.1088 0.293
Loa Loa (eye worm) hypothetical protein 0.0086 0.1992 0.5639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0914 0.0914
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0031 0.0031
Trypanosoma cruzi ISWI complex protein 0.003 0.0557 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Leishmania major DNA polymerase eta, putative 0.002 0.0291 0.0763
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0046 0.0968 0.0968
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0137 0.0521
Brugia malayi hypothetical protein 0.0146 0.3532 0.97
Schistosoma mansoni smad1 5 8 and 0.001 0.0031 0.0000046175
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Brugia malayi SET domain containing protein 0.0012 0.0077 0.0129
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0104
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0031 0.0087
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0031 0.0031
Loa Loa (eye worm) Smad1 0.001 0.0031 0.0087
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0031 0.0031
Echinococcus granulosus dna polymerase eta 0.002 0.0291 0.0291
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0291 0.0261
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0647 0.0618
Schistosoma mansoni ap endonuclease 0.0019 0.0269 0.0239
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1022 0.2893
Loa Loa (eye worm) hypothetical protein 0.0038 0.0748 0.2118
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0224 0.1123
Echinococcus granulosus Smad4 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0031 0.0031
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0061 0.0085
Schistosoma mansoni bromodomain containing protein 0.0127 0.3043 0.3022
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0822 0.5254
Schistosoma mansoni hypothetical protein 0.0011 0.0061 0.0031
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0291 0.0763
Plasmodium falciparum flap endonuclease 1 0.0026 0.0458 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0539 0.1525
Schistosoma mansoni hypothetical protein 0.0037 0.0717 0.0689
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1258 1
Entamoeba histolytica hypothetical protein 0.0037 0.0717 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0914 0.0887
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0291 0.1587
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0663 0.0634
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0224 0.1123
Brugia malayi Bromodomain containing protein 0.0076 0.1729 0.4706
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0141
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0031 0.0086
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0647 0.0618
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0647 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0748 0.4746
Echinococcus granulosus GPCR family 2 0.0015 0.0172 0.0172
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0031 0.0031
Schistosoma mansoni cpg binding protein 0.0033 0.0634 0.0605
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0291 0.374
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0031 0.0031
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.1609 0.1609
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0465 0.2789
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0224 0.1123
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Toxoplasma gondii exonuclease III APE 0.0019 0.0269 0.1735
Echinococcus granulosus Chromo domain 0.0011 0.0061 0.0061
Schistosoma mansoni zinc finger protein 0.004 0.0816 0.0788
Schistosoma mansoni chromobox protein 0.0011 0.0061 0.0031
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0269 0.3223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0914 0.0887
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0291 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.02 0.0565
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0172 0.0172
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0458 0.6547
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1509 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0031 0.0031
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1022 0.2746
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0031 0.0031
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0061 0.0061
Echinococcus multilocularis GPCR, family 2 0.0015 0.0172 0.0172
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0291 0.0763
Loa Loa (eye worm) hypothetical protein 0.0033 0.0628 0.1779
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0172 0.0486
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0291 0.0824
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0149 0.0603
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0031 0.0086
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0291 0.374
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0031 0.0031
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.1609 0.1609
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0291 0.374
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0173
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0086
Schistosoma mansoni hypothetical protein 0.034 0.8511 0.8506
Loa Loa (eye worm) helicase 0.0011 0.0061 0.0173
Trypanosoma brucei unspecified product 0.002 0.0291 0.374
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0822 0.226

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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