Detailed information for compound 873155

Basic information

Technical information
  • TDR Targets ID: 873155
  • Name: N-(3-methylsulfanylphenyl)-2-[2-[[3-(trifluor omethyl)phenyl]methylsulfanyl]imidazo[5,4-b]p yridin-3-yl]acetamide
  • MW: 488.548 | Formula: C23H19F3N4OS2
  • H donors: 1 H acceptors: 3 LogP: 5.44 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1cccc(c1)NC(=O)Cn1c(SCc2cccc(c2)C(F)(F)F)nc2c1nccc2
  • InChi: 1S/C23H19F3N4OS2/c1-32-18-8-3-7-17(12-18)28-20(31)13-30-21-19(9-4-10-27-21)29-22(30)33-14-15-5-2-6-16(11-15)23(24,25)26/h2-12H,13-14H2,1H3,(H,28,31)
  • InChiKey: XSXDUZVKVDNNFR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(methylthio)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylthio]-3-imidazo[5,4-b]pyridinyl]acetamide
  • N-[3-(methylthio)phenyl]-2-[2-[[3-(trifluoromethyl)benzyl]thio]imidazo[5,4-b]pyridin-3-yl]acetamide
  • N-(3-methylsulfanylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[5,4-b]pyridin-3-yl]ethanamide

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
Schistosoma mansoni tyrosine kinase 0.0048 0.066 0.0854
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0754 0.0666
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0032 0.0288 0.2536
Toxoplasma gondii target of rapamycin (TOR), putative 0.0032 0.0288 0.1429
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0032 0.0288 0.186
Loa Loa (eye worm) hypothetical protein 0.0032 0.0288 0.0288
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1134 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0094 0.0831
Schistosoma mansoni tyrosine kinase 0.0081 0.1408 0.2569
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0052 0.0754 0.5502
Loa Loa (eye worm) hypothetical protein 0.0024 0.0094 0.0094
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0339 0.0247
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0081 0.1428 0.2615
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.022 0.4647 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.022 0.4647 0.4647
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0032 0.0288 0.2536
Echinococcus multilocularis epidermal growth factor receptor 0.0151 0.3058 0.6356
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.5502
Leishmania major hypothetical protein, conserved 0.0032 0.0288 0.186
Loa Loa (eye worm) TK/INSR protein kinase 0.0048 0.066 0.066
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.1134 1
Entamoeba histolytica hypothetical protein 0.0052 0.0754 0.6643
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0069 0.1134 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0032 0.0288 0.2536
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.6643
Schistosoma mansoni tyrosine kinase 0.0081 0.1428 0.2615
Leishmania major hypothetical protein, unknown function 0.0032 0.0288 0.186
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0052 0.0754 0.8155
Schistosoma mansoni tyrosine kinase 0.0081 0.1408 0.2569
Loa Loa (eye worm) hypothetical protein 0.045 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 1
Brugia malayi Probable ClpP-like protease 0.0079 0.1382 0.13
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 0.5
Brugia malayi follicle stimulating hormone receptor 0.0235 0.5007 0.4959
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0745 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0152 0.0058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0057 0.0859 0.0772
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0052 0.0754 0.5502
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0754 0.0666
Echinococcus multilocularis 0.0047 0.0625 0.0773
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0052 0.0754 0.5502
Onchocerca volvulus 0.022 0.4647 0.4596
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0032 0.0288 0.0966
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.022 0.4647 1
Onchocerca volvulus 0.045 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.4647 0.4596
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0288 0.0966
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0057 0.0859 0.5683
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.5007 0.5007
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0745 0.105
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.0288 0.2971
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0052 0.0754 0.5502
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0712 0.0624
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 0.5
Echinococcus multilocularis 0.0057 0.0859 0.1311
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0745 0.5056
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0032 0.0288 0.2536
Loa Loa (eye worm) hypothetical protein 0.0051 0.0712 0.0712
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0048 0.066 0.0854
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.1382 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0052 0.0754 0.5502
Loa Loa (eye worm) hypothetical protein 0.0024 0.0094 0.0094
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0171 0.0593
Schistosoma mansoni lozenge 0.0056 0.0847 0.1283
Leishmania major phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.6339
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0032 0.0288 0.186
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0052 0.0754 0.1069
Echinococcus granulosus epidermal growth factor receptor 0.0081 0.1428 0.2615
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.6643
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1134 1
Loa Loa (eye worm) hypothetical protein 0.045 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0032 0.0288 0.186
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0057 0.0859 0.5683
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.1382 1
Brugia malayi Furin-like cysteine rich region family protein 0.0151 0.3058 0.2992
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.1382 0.251
Echinococcus granulosus epidermal growth factor receptor 0.0151 0.3058 0.6356
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0032 0.0288 0.186
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0057 0.0859 0.1311
Loa Loa (eye worm) hypothetical protein 0.0079 0.1382 0.1382
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0057 0.0859 0.6747
Schistosoma mansoni tyrosine kinase 0.0151 0.3058 0.6356
Loa Loa (eye worm) TK/EGFR protein kinase 0.0151 0.3058 0.3058
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0032 0.0288 0.2536
Leishmania major phosphatidylinositol 3-kinase, putative 0.0032 0.0288 0.186
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.1382 0.251
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0712 0.0712
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0057 0.0859 0.1311
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0057 0.0859 0.7572
Giardia lamblia Phosphatidylinositol 4-kinase 0.0057 0.0859 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0069 0.1134 1
Brugia malayi Protein kinase domain containing protein 0.0048 0.066 0.0571
Loa Loa (eye worm) hypothetical protein 0.0035 0.0339 0.0339
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.022 0.4647 1
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0288 0.1502
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0288 0.0195
Entamoeba histolytica hypothetical protein 0.0032 0.0288 0.2536
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0052 0.0754 0.5502
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.1382 0.251
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0032 0.0288 0.2536
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0052 0.0754 0.6643
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0032 0.0288 0.2536
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0077 0.1325 0.9553
Leishmania major phosphatidylinositol 4-kinase, putative 0.0057 0.0859 0.7352
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1134 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0052 0.0754 0.4813
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.022 0.4647 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.022 0.4647 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0052 0.0754 0.5502
Loa Loa (eye worm) hypothetical protein 0.0032 0.0288 0.0288
Toxoplasma gondii FATC domain-containing protein 0.0032 0.0288 0.1429
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0069 0.1134 0.1134
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0052 0.0754 0.1069
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.6643
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0032 0.0288 0.2536
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0288 0.0288
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0754 0.0666
Loa Loa (eye worm) hypothetical protein 0.0024 0.0094 0.0094
Loa Loa (eye worm) runx1 0.0056 0.0847 0.0847
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 1
Entamoeba histolytica hypothetical protein 0.0032 0.0288 0.2536
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0057 0.0859 0.7572
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0048 0.066 0.0854
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0032 0.0288 0.2536
Plasmodium vivax hypothetical protein 0.0032 0.0288 0.0966
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0052 0.0754 0.1069
Leishmania major phosphatidylinositol kinase related protein, putative 0.0032 0.0288 0.186
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.6643
Loa Loa (eye worm) hypothetical protein 0.0052 0.0754 0.0754
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0032 0.0288 0.2536
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0032 0.0288 0.1429
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0339 0.0118
Loa Loa (eye worm) phosphatidylinositol 3 0.022 0.4647 0.4647
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0069 0.1134 0.1943
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0052 0.0754 0.1069
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0052 0.0754 0.5078
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0094 0.0831
Entamoeba histolytica hypothetical protein 0.0032 0.0288 0.2536
Schistosoma mansoni tyrosine kinase 0.0081 0.1408 0.2569
Entamoeba histolytica protein kinase rad3, putative 0.0032 0.0288 0.2536
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0069 0.1134 0.105
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0032 0.0288 0.0966
Loa Loa (eye worm) phosphatidylinositol 3 0.0057 0.0859 0.0859
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.6643
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0094 0.0831
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0288 0.0288
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0052 0.0754 0.1069
Onchocerca volvulus 0.022 0.4647 0.4596
Loa Loa (eye worm) phosphatidylinositol 3 0.0052 0.0754 0.0754
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0069 0.1134 0.1943
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.1382 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0052 0.0754 0.1069
Schistosoma mansoni tyrosine kinase 0.0081 0.1428 0.2615
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0052 0.0754 0.5502
Loa Loa (eye worm) phosphatidylinositol 3 0.022 0.4647 0.4647
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0052 0.0754 0.5502
Schistosoma mansoni tyrosine kinase 0.0048 0.066 0.0854
Echinococcus multilocularis Protein lozenge 0.0056 0.0847 0.1283
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0288 0.0195
Trypanosoma cruzi target of rapamycin kinase 3 0.0032 0.0288 0.2536
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0032 0.0288 0.2536
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0069 0.1134 0.1943
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0288 0.0195
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0052 0.0754 0.6643
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0152 0.0152
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0032 0.0288 0.2536
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0032 0.0288 0.0966
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0052 0.0754 0.4813
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.1382 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0032 0.0288 0.1429
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0049 0.0669 0.4412
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1134 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0052 0.0754 0.6643
Leishmania major phosphatidylinositol kinase, putative 0.0032 0.0288 0.186
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0745 0.105
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0032 0.0288 0.1429
Echinococcus multilocularis epidermal growth factor receptor 0.0081 0.1428 0.2615
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0052 0.0754 0.1069
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0032 0.0288 0.2536
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0052 0.0754 0.6643
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.4647 0.4596
Echinococcus granulosus insulin receptor 0.0048 0.066 0.0854
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0712 0.0624
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0288 0.0195
Toxoplasma gondii hypothetical protein 0.0027 0.0171 0.0512
Entamoeba histolytica hypothetical protein 0.0032 0.0288 0.2536
Echinococcus multilocularis insulin receptor 0.0048 0.066 0.0854
Loa Loa (eye worm) hypothetical protein 0.022 0.4647 0.4647
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0288 0.0288
Echinococcus multilocularis Zinc finger, PHD finger 0.0052 0.0754 0.1069
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.1382 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0052 0.0754 0.1069
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0745 1

Activities

No activities found for this compound.

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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