Detailed information for compound 276478

Basic information

Technical information
  • TDR Targets ID: 276478
  • Name: 2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]p yridine
  • MW: 273.31 | Formula: C13H11N3O2S
  • H donors: 1 H acceptors: 4 LogP: 1.37 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)c1ccc(cc1)c1nc2c(n1)ccc[nH]2
  • InChi: 1S/C13H11N3O2S/c1-19(17,18)10-6-4-9(5-7-10)12-15-11-3-2-8-14-13(11)16-12/h2-8H,1H3,(H,14,15,16)
  • InChiKey: AYKPAHFUKLPNKV-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-mesylphenyl)-1H-imidazo[4,5-b]pyridine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Entamoeba histolytica hypothetical protein 0.0029 0.1555 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0016 0.05 0.3213
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0009 0.00000000025853 0.00000000025853
Loa Loa (eye worm) transcription factor SMAD2 0.0097 0.6832 0.9867
Brugia malayi Associated with TFs and helicases family protein 0.0009 0.00000000025853 0.0000000003784
Echinococcus multilocularis lysine specific demethylase 5A 0.0029 0.1511 0.1511
Loa Loa (eye worm) CHromoDomain protein family member 0.0009 0.00000000025853 0.00000000037338
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0009 0.00000000025853 0.00000000025853
Trichomonas vaginalis DNA helicase recq, putative 0.001 0.009 0.0158
Echinococcus granulosus chromobox protein 1 0.0057 0.3687 0.3687
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.1028 0.1802
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.0277 0.0399
Schistosoma mansoni tar DNA-binding protein 0.0051 0.3287 0.3287
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0016 0.05 0.05
Plasmodium vivax hypothetical protein, conserved 0.0024 0.1123 0.1969
Schistosoma mansoni transcription factor LCR-F1 0.0029 0.1555 0.1555
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Echinococcus multilocularis PHD finger protein rhinoceros 0.0024 0.1123 0.1123
Schistosoma mansoni tar DNA-binding protein 0.0051 0.3287 0.3287
Giardia lamblia PHD finger protein 15 0.0024 0.1123 0.1198
Brugia malayi jmjC domain containing protein 0.0078 0.532 0.7787
Brugia malayi Latrophilin receptor protein 2 0.0013 0.0277 0.0405
Echinococcus multilocularis chromobox protein 1 0.0057 0.3687 0.3687
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0016 0.05 0.05
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Entamoeba histolytica hypothetical protein 0.0029 0.1555 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0013 0.0306 0.0536
Echinococcus multilocularis GPCR, family 2 0.0013 0.0277 0.0277
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0049 0.3132 0.5491
Schistosoma mansoni hypothetical protein 0.0029 0.1555 0.1555
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0076 0.5179 0.7479
Onchocerca volvulus 0.0025 0.1216 0.6276
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.2111 0.3972
Schistosoma mansoni hypothetical protein 0.0024 0.1123 0.1123
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0076 0.5179 0.5179
Brugia malayi RNA recognition motif domain containing protein 0.0051 0.3287 0.481
Brugia malayi RNA binding protein 0.0051 0.3287 0.481
Brugia malayi MH2 domain containing protein 0.0097 0.6832 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0016 0.05 0.0876
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.1511 0.1511
Trichomonas vaginalis chromobox protein, putative 0.0057 0.3687 0.6464
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.1028 0.1802
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0277 0.0277
Trichomonas vaginalis chromobox protein, putative 0.0034 0.1937 0.3396
Schistosoma mansoni hypothetical protein 0.0009 0.00000000025853 0.00000000025853
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0076 0.5179 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0033 0.1846 0.1846
Brugia malayi Heterochromatin protein 1 0.0057 0.3687 0.5396
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0013 0.0277 0.0405
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0076 0.5179 0.5179
Loa Loa (eye worm) RecQ helicase 0.002 0.0797 0.1152
Echinococcus granulosus chromobox protein 1 0.0057 0.3687 0.3687
Echinococcus granulosus jumonji domain containing protein 0.0033 0.1846 0.1846
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0009 0.00000000025853 0.0000000003784
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Trypanosoma brucei DNA polymerase kappa, putative 0.0011 0.0121 0.006
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0083 0.5704 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Brugia malayi CHD4 protein 0.0009 0.00000000025853 0.0000000003784
Trypanosoma brucei DNA polymerase IV, putative 0.0016 0.05 0.0805
Loa Loa (eye worm) hypothetical protein 0.0098 0.6924 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.175 0.3067
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.175 0.3067
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Schistosoma mansoni hypothetical protein 0.0013 0.0277 0.0277
Schistosoma mansoni DNA polymerase eta 0.0036 0.2111 0.2111
Schistosoma mansoni tar DNA-binding protein 0.0051 0.3287 0.3287
Echinococcus granulosus tar DNA binding protein 0.0051 0.3287 0.3287
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.05 0.0805
Echinococcus multilocularis dna polymerase eta 0.0036 0.2111 0.2111
Loa Loa (eye worm) hypothetical protein 0.0041 0.2441 0.3525
Leishmania major DNA polymerase eta, putative 0.0026 0.1269 0.2317
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.05 0.0721
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.0277 0.0277
Loa Loa (eye worm) heterochromatin protein 1 0.0057 0.3687 0.5325
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0083 0.5704 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.05 0.0805
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.3087 0.4459
Schistosoma mansoni hypothetical protein 0.0013 0.0277 0.0277
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0026 0.1269 0.2225
Leishmania major DNA polymerase eta, putative 0.0036 0.2111 0.3972
Loa Loa (eye worm) hypothetical protein 0.0025 0.1216 0.1756
Entamoeba histolytica recQ family helicase, putative 0.001 0.009 0.0579
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0076 0.5179 1
Entamoeba histolytica hypothetical protein 0.0029 0.1555 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0797 0.1398
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0076 0.5179 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0024 0.1123 0.1969
Echinococcus granulosus dna polymerase eta 0.0036 0.2111 0.2111
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0029 0.1555 0.1555
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0029 0.1555 0.1555
Echinococcus granulosus bloom syndrome protein 0.002 0.0797 0.0797
Echinococcus multilocularis tar DNA binding protein 0.0051 0.3287 0.3287
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0051 0.3287 0.4747
Trypanosoma brucei unspecified product 0.0016 0.05 0.0805
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0083 0.5704 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.05 0.0805
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Echinococcus multilocularis peregrin 0.0024 0.1123 0.1123
Loa Loa (eye worm) TAR-binding protein 0.0051 0.3287 0.4747
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.05 0.0805
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Loa Loa (eye worm) hypothetical protein 0.0028 0.1435 0.2072
Schistosoma mansoni hypothetical protein 0.0138 1 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0024 0.1177 0.2136
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0049 0.3132 0.5626
Trichomonas vaginalis DNA polymerase eta, putative 0.0016 0.05 0.0876
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0797 0.1398
Echinococcus granulosus GPCR family 2 0.0013 0.0277 0.0277
Schistosoma mansoni hypothetical protein 0.0138 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1123 0.1622
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0026 0.1325 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0076 0.5179 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0024 0.1123 0.1123
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0041 0.2433 0.3561
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0016 0.05 0.0805
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.0000000016628
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0797 0.1167
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Schistosoma mansoni blooms syndrome DNA helicase 0.0015 0.0478 0.0478
Trypanosoma brucei DNA polymerase eta, putative 0.0036 0.2111 0.3972
Echinococcus granulosus lysine specific demethylase 5A 0.0029 0.1511 0.1511
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0017 0.0613 0.1075
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0083 0.5704 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0078 0.532 0.532
Echinococcus multilocularis chromobox protein 1 0.0057 0.3687 0.3687
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.1511 0.1511
Schistosoma mansoni jumonji domain containing protein 0.0062 0.4078 0.4078
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0076 0.5179 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0083 0.5704 1
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.1123 0.1622
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Schistosoma mansoni tar DNA-binding protein 0.0051 0.3287 0.3287
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Echinococcus multilocularis Chromo domain 0.0009 0.00000000025853 0.00000000025853
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0009 0.00000000025853 0.00000000045326
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0009 0.00000000025853 0.00000000025853
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Loa Loa (eye worm) hypothetical protein 0.0013 0.0277 0.0399
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0041 0.2433 0.3513
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0009 0.00000000025853 0.00000000025853
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.05 0.05
Schistosoma mansoni hypothetical protein 0.0013 0.0277 0.0277
Trypanosoma cruzi DNA polymerase eta, putative 0.0026 0.1269 0.2317
Trypanosoma brucei DNA polymerase kappa, putative 0.0011 0.0121 0.006
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.0009 0.00000000025853 0.00000000037338
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0025 0.1234 0.2247
Trypanosoma brucei DNA polymerase IV, putative 0.0016 0.05 0.0805
Plasmodium vivax hypothetical protein, conserved 0.0009 0.00000000025853 0.00000000045326
Brugia malayi glucose-6-phosphate dehydrogenase 0.0076 0.5179 0.758
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0076 0.5179 0.5179
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0277 0.0277
Leishmania major DNA polymerase kappa, putative 0.0016 0.05 0.0805
Brugia malayi hypothetical protein 0.0029 0.1555 0.2276
Echinococcus multilocularis geminin 0.0138 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.2111 0.3049
Plasmodium falciparum phd finger protein, putative 0.0024 0.1123 0.1969
Entamoeba histolytica hypothetical protein 0.0029 0.1555 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.0000000016628
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.1511 0.2183
Brugia malayi PHD-finger family protein 0.0024 0.1123 0.1644
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0032 0.175 0.9031
Toxoplasma gondii PHD-finger domain-containing protein 0.0024 0.1123 0.1969
Entamoeba histolytica hypothetical protein 0.0009 0.00000000025853 0.0000000016628
Loa Loa (eye worm) hypothetical protein 0.0041 0.2433 0.3513
Loa Loa (eye worm) hypothetical protein 0.0032 0.175 0.2527
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0076 0.5179 1
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.05 0.0731
Trypanosoma brucei DNA polymerase kappa, putative 0.0011 0.0121 0.006
Echinococcus granulosus dna polymerase kappa 0.0016 0.05 0.05
Echinococcus multilocularis dna polymerase kappa 0.0016 0.05 0.05
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0034 0.1937 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0009 0.00000000025853 0.00000000025853
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0009 0.00000000025853 0.00000000045326
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0078 0.532 0.532
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0083 0.5704 1
Echinococcus granulosus Chromo domain 0.0009 0.00000000025853 0.00000000025853
Brugia malayi ImpB/MucB/SamB family protein 0.0036 0.2111 0.309
Schistosoma mansoni tar DNA-binding protein 0.0051 0.3287 0.3287
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0009 0.00000000025853 0.00000000025853
Echinococcus multilocularis bloom syndrome protein 0.002 0.0797 0.0797
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Schistosoma mansoni chromobox protein 0.0057 0.3687 0.3687
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.1435 0.21
Brugia malayi Bromodomain containing protein 0.0024 0.1123 0.1644
Trichomonas vaginalis chromobox protein, putative 0.0034 0.1937 0.3396
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0024 0.1123 0.1123
Brugia malayi TAR-binding protein 0.0051 0.3287 0.481
Onchocerca volvulus Alhambra homolog 0.0024 0.1123 0.5798
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0083 0.5704 1
Loa Loa (eye worm) RNA binding protein 0.0051 0.3287 0.4747
Brugia malayi jmjC domain containing protein 0.0029 0.1511 0.2212
Echinococcus granulosus peregrin 0.0024 0.1123 0.1123
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0013 0.0293 0.0514
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.0000000016628
Loa Loa (eye worm) MH2 domain-containing protein 0.0097 0.6832 0.9867
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.0277 0.0277
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0009 0.00000000025853 0.00000000045326
Schistosoma mansoni chromobox protein 0.0057 0.3687 0.3687
Schistosoma mansoni hypothetical protein 0.0028 0.1435 0.1435
Trypanosoma brucei DNA polymerase IV, putative 0.0016 0.05 0.0805
Trypanosoma brucei unspecified product 0.0011 0.0121 0.006
Trichomonas vaginalis chromobox protein, putative 0.0057 0.3687 0.6464
Brugia malayi Calcitonin receptor-like protein seb-1 0.0041 0.2433 0.3561
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Brugia malayi chromobox protein homolog 3 0.0032 0.175 0.2561
Schistosoma mansoni hypothetical protein 0.0013 0.0277 0.0277
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.05 0.0805
Trypanosoma brucei unspecified product 0.0011 0.0121 0.006

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -2 % Percent change in mean arterial blood pressure in anesthetized dog ChEMBL. 4009593
Change (functional) = 8 % Percent change in heart rate in anesthetized dog ChEMBL. 4009593
Control (functional) 0 % Compound tested for contractility in isolated cat papillary muscle at 10 e-5 M; NT = not tested ChEMBL. 4009593
Control (functional) 0 % Compound tested for contractility in isolated cat papillary muscle at 10 e-4 M; NT = not tested ChEMBL. 4009593
ED50 (functional) = 18 mg kg-1 Compound tested for contractility in anesthetized dog when administered intravenously. ChEMBL. 4009593

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

1 literature reference was collected for this gene.

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