Detailed information for compound 1227076

Basic information

Technical information
  • TDR Targets ID: 1227076
  • Name: N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimid azo[5,4-e]pyridin-6-yl]acetamide
  • MW: 373.247 | Formula: C17H17BrN4O
  • H donors: 1 H acceptors: 3 LogP: 2.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cc2c(nc1C)nc(n2Cc1ccc(cc1)Br)C
  • InChi: 1S/C17H17BrN4O/c1-10-15(21-12(3)23)8-16-17(19-10)20-11(2)22(16)9-13-4-6-14(18)7-5-13/h4-8H,9H2,1-3H3,(H,21,23)
  • InChiKey: GDBFFIHZUWCWKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[(4-bromophenyl)methyl]-2,5-dimethyl-imidazo[5,4-e]pyridin-6-yl]acetamide
  • N-[1-[(4-bromophenyl)methyl]-2,5-dimethyl-6-imidazo[5,4-e]pyridinyl]acetamide
  • N-[1-(4-bromobenzyl)-2,5-dimethyl-imidazo[5,4-e]pyridin-6-yl]acetamide
  • N-[1-[(4-bromophenyl)methyl]-2,5-dimethyl-imidazo[5,4-e]pyridin-6-yl]ethanamide
  • MLS000035283
  • N-[1-(4-Bromo-benzyl)-2,5-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl]-acetamide
  • SMR000000713
  • ASN 09857891

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ABL proto-oncogene 1, non-receptor tyrosine kinase No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens Ras and Rab interactor 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Tyrosine-protein kinase abl-1 Get druggable targets OG5_131234 All targets in OG5_131234
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase ABL1, putative Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Abl Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) TK/ABL protein kinase Get druggable targets OG5_131234 All targets in OG5_131234
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131234 All targets in OG5_131234
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.185 0.6316
Schistosoma mansoni hypothetical protein 0.0035 0.071 0.0877
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.185 0.2693
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0606 0.0562
Onchocerca volvulus 0.0047 0.1035 0.1277
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0144 0.021
Schistosoma mansoni tyrosine kinase 0.025 0.6767 0.8358
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1035 0.1279
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.071 0.1033
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0012 0.0048 0.0061
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.185 1
Leishmania major DNA polymerase kappa, putative 0.0032 0.0606 0.0562
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0185 0.0228
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0425 0.1483
Echinococcus multilocularis dna polymerase kappa 0.0102 0.2596 0.3779
Brugia malayi TAR-binding protein 0.0127 0.3301 0.4817
Brugia malayi MH2 domain containing protein 0.0132 0.3426 0.5002
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3301 0.4077
Toxoplasma gondii hypothetical protein 0.0026 0.0448 0.1403
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 0.5
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0012 0.0048 0.0069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.108 0.1513
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0647 0.0887
Trypanosoma brucei unspecified product 0.0071 0.1701 0.1661
Giardia lamblia DNA damage repair protein 0.0032 0.0606 0.2193
Schistosoma mansoni hypothetical protein 0.0033 0.0647 0.0799
Schistosoma mansoni hypothetical protein 0.0017 0.0195 0.0241
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0059 0.1377 0.2684
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.1035 0.1448
Echinococcus multilocularis tissue type plasminogen activator 0.0017 0.0195 0.0284
Brugia malayi ImpB/MucB/SamB family protein 0.0102 0.2596 0.3773
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0144 0.021
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.071 0.1033
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3301 0.4077
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1682 0.3278
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0144 0.021
Brugia malayi Kringle domain containing protein 0.0017 0.0195 0.0218
Leishmania major hypothetical protein, conserved 0.0017 0.0195 0.0148
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.185 0.2642
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0059 0.1377 0.2005
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0425 0.0525
Echinococcus granulosus zinc finger protein 0.0019 0.0255 0.0371
Schistosoma mansoni bromodomain containing protein 0.0062 0.1468 0.1813
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.108 0.1529
Trypanosoma brucei unspecified product 0.0102 0.2596 0.256
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0144 0.0143
Echinococcus granulosus tyrosine protein kinase ABL1 0.0254 0.6869 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0709 0.1032
Plasmodium falciparum DNA repair protein REV1, putative 0.0032 0.0606 0.3102
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.1682 0.1642
Echinococcus multilocularis GPCR, family 2 0.0015 0.0144 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Toxoplasma gondii exonuclease III APE 0.0059 0.1377 0.466
Schistosoma mansoni carbon catabolite repressor protein 0.0012 0.0048 0.0059
Loa Loa (eye worm) hypothetical protein 0.0015 0.0144 0.0142
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0709 0.1032
Echinococcus granulosus traf and tnf receptor associated protein 0.0012 0.0048 0.0069
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0059 0.1377 0.5218
Schistosoma mansoni hypothetical protein 0.0015 0.0144 0.0178
Schistosoma mansoni ap endonuclease 0.0059 0.1377 0.1701
Echinococcus multilocularis zinc finger protein 0.0019 0.0255 0.0371
Leishmania major DNA damage repair protein, putative 0.0032 0.0606 0.0562
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1113 0.2169
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.1377 0.7378
Brugia malayi Pre-SET motif family protein 0.0251 0.6801 1
Schistosoma mansoni DNA polymerase eta 0.0184 0.489 0.604
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1113 0.6017
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0606 0.1959
Entamoeba histolytica hypothetical protein 0.0035 0.071 0.2599
Trypanosoma cruzi DNA damage repair protein, putative 0.0032 0.0606 0.0562
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Toxoplasma gondii hypothetical protein 0.0059 0.1371 0.4637
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.5265 0.7665
Loa Loa (eye worm) hypothetical protein 0.0053 0.1219 0.1717
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0102 0.2596 0.3779
Schistosoma mansoni nocturnin 0.0012 0.0048 0.0059
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.1035 0.1507
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0144 0.021
Loa Loa (eye worm) MBCTL1 0.0053 0.1219 0.1717
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0202 0.0226
Brugia malayi hypothetical protein 0.0018 0.0219 0.0254
Plasmodium vivax SET domain protein, putative 0.0036 0.0728 0.3777
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.1219 0.1734
Schistosoma mansoni hypothetical protein 0.0015 0.0136 0.0168
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0498 0.158
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.1219 0.1774
Echinococcus multilocularis tar DNA binding protein 0.0127 0.3301 0.4805
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0728 0.0899
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0425 0.1324
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0728 0.106
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0012 0.0048 0.0061
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.1202 0.1749
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7781 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4581 0.4555
Schistosoma mansoni hypothetical protein 0.0015 0.0144 0.0178
Brugia malayi Bromodomain containing protein 0.0074 0.1793 0.2584
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.5265 0.7665
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.185 0.2285
Leishmania major DNA polymerase eta, putative 0.0113 0.2901 0.2867
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5131 1
Schistosoma mansoni hypothetical protein 0.002 0.0284 0.0351
Echinococcus multilocularis synaptojanin 1 0.0012 0.0048 0.0069
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0059 0.1377 0.2684
Trypanosoma brucei DNA polymerase IV, putative 0.0102 0.2596 0.256
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.1682 0.3278
Schistosoma mansoni hypothetical protein 0.0013 0.0064 0.0079
Brugia malayi hypothetical protein 0.0035 0.071 0.0981
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1158 0.1116
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.1682 0.2449
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0032 0.0606 0.1959
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1158 0.1116
Trypanosoma brucei DNA polymerase eta, putative 0.0184 0.489 0.4866
Brugia malayi ImpB/MucB/SamB family protein 0.0184 0.489 0.7171
Echinococcus granulosus dna polymerase eta 0.0184 0.489 0.7119
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.1219 0.1774
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0012 0.0048 0.0069
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0425 0.038
Echinococcus granulosus tar DNA binding protein 0.0127 0.3301 0.4805
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0102 0.2596 0.3206
Brugia malayi Pre-SET motif family protein 0.0036 0.0728 0.1008
Trypanosoma brucei DNA damage repair protein, putative 0.0032 0.0606 0.0562
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.1202 0.1749
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.1035 0.1277
Leishmania major DNA polymerase kappa, putative 0.0102 0.2596 0.256
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0059 0.1377 0.1949
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Brugia malayi Tyrosine-protein kinase abl-1 0.0154 0.4051 0.5928
Onchocerca volvulus 0.0286 0.7781 1
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0012 0.0048 0.0061
Echinococcus granulosus GPCR family 2 0.0015 0.0144 0.021
Entamoeba histolytica deoxycytidyl transferase, putative 0.0102 0.2596 1
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.1377 0.177
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0012 0.0048 0.0061
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0254 0.6869 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0059 0.1377 0.5218
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0113 0.2901 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0102 0.2596 0.256
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.1368 0.1992
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0102 0.2596 0.3735
Schistosoma mansoni zinc finger protein 0.0019 0.0255 0.0314
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1682 0.3278
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0425 0.0525
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3301 0.4077
Schistosoma mansoni hypothetical protein 0.0015 0.0144 0.0178
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Schistosoma mansoni synaptojanin 0.0012 0.0048 0.0059
Loa Loa (eye worm) hypothetical protein 0.0096 0.2427 0.3488
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1113 0.2169
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.185 0.6316
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0448 0.2222
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1158 0.1116
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0425 0.2097
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0185 0.0269
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0498 0.2501
Brugia malayi Protein kinase domain containing protein 0.0018 0.0224 0.0261
Mycobacterium ulcerans DNA polymerase IV 0.0102 0.2596 0.5059
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0012 0.0048 0.0061
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4581 0.4555
Treponema pallidum hypothetical protein 0.0012 0.0048 0.0257
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0012 0.0048 0.0059
Trypanosoma cruzi ISWI complex protein 0.0015 0.0136 0.0089
Schistosoma mansoni terminal deoxycytidyl transferase 0.0102 0.2596 0.3206
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0012 0.0048 0.0069
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0425 0.056
Loa Loa (eye worm) hypothetical protein 0.0032 0.0606 0.0819
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.1682 0.5728
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.1377 0.7378
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0606 0.0562
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.1701 0.1661
Trypanosoma cruzi DNA polymerase kappa, putative 0.0102 0.2596 0.256
Trypanosoma cruzi DNA damage repair protein, putative 0.0032 0.0606 0.0562
Loa Loa (eye worm) TK/ROR protein kinase 0.0018 0.0224 0.0258
Schistosoma mansoni hypothetical protein 0.0181 0.4824 0.5958
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0017 0.0195 0.0818
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.1701 0.1661
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0425 0.1483
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0448 0.2422
Trypanosoma cruzi DNA polymerase eta, putative 0.0184 0.489 0.4866
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.1035 0.1507
Entamoeba histolytica hypothetical protein 0.0035 0.071 0.2599
Echinococcus multilocularis traf and tnf receptor associated protein 0.0012 0.0048 0.0069
Trypanosoma cruzi DNA polymerase kappa, putative 0.0102 0.2596 0.256
Loa Loa (eye worm) hypothetical protein 0.0017 0.0195 0.0216
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0059 0.1377 0.1336
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.1219 0.1774
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0012 0.0048 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0606 0.0562
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.185 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.108 0.1513
Loa Loa (eye worm) hypothetical protein 0.0042 0.0895 0.1242
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.3301 0.4817
Brugia malayi PHD-finger family protein 0.0025 0.0403 0.0526
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1474 0.1434
Trypanosoma brucei ISWI complex protein 0.0015 0.0136 0.0089
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.071 0.0877
Mycobacterium tuberculosis Probable exported protein 0.0012 0.0048 0.0093
Trypanosoma cruzi DNA polymerase kappa, putative 0.0102 0.2596 0.256
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0144 0.0142
Toxoplasma gondii kringle domain-containing protein 0.0017 0.0195 0.0517
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.1035 0.1279
Onchocerca volvulus 0.0036 0.0728 0.088
Entamoeba histolytica hypothetical protein 0.0035 0.071 0.2599
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0425 0.0525
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0425 0.2097
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0254 0.6869 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0103 0.2629 0.3823
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1113 0.162
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0498 0.0453
Loa Loa (eye worm) RNA binding protein 0.0127 0.3301 0.4769
Echinococcus multilocularis dna polymerase eta 0.0184 0.489 0.7119
Mycobacterium ulcerans DNA polymerase IV 0.0102 0.2596 0.5059
Schistosoma mansoni neutral sphingomyelinase 0.0012 0.0048 0.0059
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0606 0.0562
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0728 0.2385
Trypanosoma cruzi DNA polymerase kappa, putative 0.0102 0.2596 0.256
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0102 0.2596 0.3336
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0059 0.1377 0.7445
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0102 0.2596 0.3779
Schistosoma mansoni synaptojanin 0.0012 0.0048 0.0059
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0606 0.0562
Loa Loa (eye worm) hypothetical protein 0.0038 0.0776 0.1068
Mycobacterium ulcerans hypothetical protein 0.0032 0.0606 0.1182
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0425 0.0547
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0425 0.0554
Brugia malayi Probable ClpP-like protease 0.0076 0.185 0.2668
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0144 0.0143
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0195 0.0148
Brugia malayi Bromodomain containing protein 0.0038 0.0774 0.1076
Leishmania major DNA polymerase eta, putative 0.0184 0.489 0.4866
Leishmania major hypothetical protein, conserved 0.0015 0.0136 0.0089
Trypanosoma brucei DNA damage repair protein, putative 0.0032 0.0606 0.0562
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0498 0.2501
Plasmodium falciparum cysteine repeat modular protein 1 0.0017 0.0195 0.0818
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 0.3605
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0691 0.1006
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0064 0.0093
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.1219 0.1505
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0012 0.0048 0.0061
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0284 0.0347
Trypanosoma brucei DNA polymerase IV, putative 0.0102 0.2596 0.256
Treponema pallidum exodeoxyribonuclease (exoA) 0.0059 0.1377 0.7445
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0064 0.0093
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4581 0.4555
Trichomonas vaginalis Phospholipase C precursor, putative 0.0012 0.0048 0.0061
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0059 0.1377 0.1336
Echinococcus multilocularis deoxyribonuclease 1 2 0.0012 0.0048 0.0069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0728 0.0899
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0448 0.2222
Echinococcus multilocularis geminin 0.0181 0.4824 0.7023
Echinococcus granulosus synaptojanin 1 0.0012 0.0048 0.0069
Schistosoma mansoni cript-related 0.0012 0.0048 0.0059
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0425 0.038
Brugia malayi mbt repeat family protein 0.0047 0.1035 0.1462
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0059 0.1377 0.1336
Leishmania major hypothetical protein, conserved 0.0028 0.0498 0.0453
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.185 0.3605
Loa Loa (eye worm) hypothetical protein 0.0033 0.0647 0.0879
Schistosoma mansoni hypothetical protein 0.0181 0.4824 0.5958
Echinococcus granulosus geminin 0.0181 0.4824 0.7023
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0337 0.049
Echinococcus multilocularis neutral sphingomyelinase 0.0012 0.0048 0.0069
Trypanosoma brucei DNA polymerase IV, putative 0.0102 0.2596 0.256
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0185 0.0269
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1682 0.2077
Trypanosoma brucei unspecified product 0.0071 0.1701 0.1661
Schistosoma mansoni zinc finger protein 0.0015 0.0136 0.0168
Schistosoma mansoni hypothetical protein 0.0297 0.8097 1
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.1377 0.177
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.3301 0.4769
Mycobacterium ulcerans hypothetical protein 0.0192 0.5131 1
Onchocerca volvulus 0.0017 0.0195 0.0191
Loa Loa (eye worm) hypothetical protein 0.007 0.1674 0.2385
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1682 0.3278
Loa Loa (eye worm) hypothetical protein 0.0028 0.0498 0.0661
Brugia malayi exodeoxyribonuclease III family protein 0.0059 0.1377 0.1969
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0425 0.0619
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0425 0.056
Schistosoma mansoni ap endonuclease 0.0059 0.1377 0.1701
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.1035 0.1507
Plasmodium vivax DNA repair protein REV1, putative 0.0032 0.0606 0.3102
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0425 0.038
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.1701 0.1661
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0606 0.0562
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0102 0.2596 0.5059
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0448 0.2422
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.1368 0.1992
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.1682 0.2449
Trypanosoma cruzi DNA polymerase eta, putative 0.0113 0.2901 0.2867
Echinococcus multilocularis tyrosine protein kinase Abl 0.0103 0.2629 0.3828
Giardia lamblia DINP protein human, muc B family 0.0102 0.2596 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.489 0.7099
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0059 0.1377 0.1336
Mycobacterium tuberculosis Conserved hypothetical protein 0.0102 0.2596 0.5059
Schistosoma mansoni hypothetical protein 0.0015 0.0144 0.0178
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.3426 0.4952
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1113 0.162
Brugia malayi RNA binding protein 0.0127 0.3301 0.4817
Schistosoma mansoni DNA polymerase IV / kappa 0.0032 0.0606 0.0749
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0012 0.0048 0.0061
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0498 0.0453
Trichomonas vaginalis chaperonin, putative 0.0025 0.0425 0.0547
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1158 0.1116
Echinococcus granulosus neutral sphingomyelinase 0.0012 0.0048 0.0069
Entamoeba histolytica hypothetical protein 0.0035 0.071 0.2599
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1682 0.2077
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.1202 0.1484
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3301 0.4077
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0185 0.0228
Echinococcus granulosus tissue type plasminogen activator 0.0017 0.0195 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3301 0.4077
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0012 0.0048 0.0069
Loa Loa (eye worm) hypothetical protein 0.0053 0.1202 0.1692
Brugia malayi polk-prov protein 0.0032 0.0606 0.0828
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0425 0.0619
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0337 0.049
Trypanosoma brucei chrX additional, unordered contigs 0.0032 0.0606 0.0562
Trypanosoma cruzi ISWI complex protein 0.0015 0.0136 0.0089
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.1202 0.1484
Loa Loa (eye worm) hypothetical protein 0.004 0.0842 0.1165
Loa Loa (eye worm) TAR-binding protein 0.0127 0.3301 0.4769
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0337 0.0416
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.1219 0.1774
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6801 0.99
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.185 0.2693
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.108 0.1529
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0498 0.2501
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.3426 0.4952
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.2596 0.256
Brugia malayi mbt repeat family protein 0.0047 0.1035 0.1462
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.1035 0.1507
Trichomonas vaginalis DNA polymerase eta, putative 0.0102 0.2596 0.3336
Loa Loa (eye worm) hypothetical protein 0.0047 0.1035 0.1448
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0059 0.1377 0.2005
Brugia malayi hypothetical protein 0.0028 0.0498 0.0667
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1035 0.1279
Echinococcus granulosus dna polymerase kappa 0.0102 0.2596 0.3779
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0498 0.0453

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 15.504 uM PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.4467 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 7.0795 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 56.2341 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) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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