Detailed information for compound 831983

Basic information

Technical information
  • TDR Targets ID: 831983
  • Name: N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)met hylsulfanyl]imidazo[5,4-c]pyridin-3-yl]butana mide
  • MW: 446.565 | Formula: C25H26N4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.98 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(n1c(SCc2ccc(cc2)C)nc2c1cncc2)C(=O)Nc1ccccc1OC
  • InChi: 1S/C25H26N4O2S/c1-4-21(24(30)27-20-7-5-6-8-23(20)31-3)29-22-15-26-14-13-19(22)28-25(29)32-16-18-11-9-17(2)10-12-18/h5-15,21H,4,16H2,1-3H3,(H,27,30)
  • InChiKey: QZOZEDPIMJZOOE-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylthio]-3-imidazo[5,4-c]pyridinyl]butanamide
  • N-(2-methoxyphenyl)-2-[2-[(4-methylbenzyl)thio]imidazo[5,4-c]pyridin-3-yl]butyramide

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
Plasmodium falciparum thioredoxin reductase 0.0051 0.9855 1
Trypanosoma brucei trypanothione reductase 0.0051 0.9855 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0846 0.3064
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.2763 1
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.2763 0.2803
Echinococcus granulosus thioredoxin mitochondrial 0.0009 0.0846 0.0846
Brugia malayi thioredoxin 0.0009 0.0846 0.0859
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.2763 1
Trichomonas vaginalis thioredoxin f-type, putative 0.0009 0.0846 0.3064
Plasmodium falciparum glutathione reductase 0.0051 0.9855 1
Mycobacterium ulcerans thioredoxin TrxC 0.0009 0.0846 0.3064
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.9855 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.2763 0.2763
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Echinococcus granulosus thioredoxin 2 0.0009 0.0846 0.0846
Plasmodium vivax thioredoxin 1, putative 0.0009 0.0846 0.0859
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.1764 0.179
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.2763 0.2803
Mycobacterium tuberculosis Probable thioredoxin TrxB1 0.0009 0.0846 0.0859
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.2763 1
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Toxoplasma gondii thioredoxin reductase 0.0051 0.9855 1
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.2763 0.2803
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Mycobacterium tuberculosis Probable oxidoreductase 0.0018 0.2763 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0846 0.3064
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0018 0.2763 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.2763 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0846 0.0859
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.2763 0.2763
Brugia malayi Thioredoxin reductase 0.0051 0.9855 1
Echinococcus granulosus Thioredoxin fold 0.0009 0.0846 0.0846
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.2763 0.2763
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0018 0.2763 0.2803
Plasmodium falciparum thioredoxin 1 0.0009 0.0846 0.0859
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.2763 0.2803
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.2763 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.2763 0.2803
Chlamydia trachomatis thioredoxin 0.0009 0.0846 0.3064
Trichomonas vaginalis thioredoxin m(mitochondrial)-type, putative 0.0009 0.0846 0.3064
Onchocerca volvulus 0.0005 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.2763 1
Plasmodium falciparum thioredoxin reductase 0.0018 0.2763 0.2803
Entamoeba histolytica thioredoxin, putative 0.0009 0.0846 1
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Entamoeba histolytica thioredoxin, putative 0.0009 0.0846 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.1764 0.179
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.2763 1
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Entamoeba histolytica thioredoxin, putative 0.0009 0.0846 1
Schistosoma mansoni thioredoxin 2 0.0009 0.0846 0.0846
Trichomonas vaginalis thioredoxin m(mitochondrial)-type, putative 0.0009 0.0846 0.3064
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.2763 0.2803
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0846 0.3064
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.9855 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 1 1
Mycobacterium tuberculosis Thioredoxin TrxC (TRX) (MPT46) 0.0009 0.0846 0.0859
Trypanosoma cruzi thioredoxin, putative 0.0009 0.0846 0.0859
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.2763 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.2763 0.2803
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0005 0.0004 0.0013
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.9855 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Brugia malayi glutathione reductase 0.0051 0.9855 1
Echinococcus granulosus thioredoxin 1 0.0009 0.0846 0.0846
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.2763 1
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.2763 0.2803
Trichomonas vaginalis thioredoxin m(mitochondrial)-type, putative 0.0009 0.0846 0.3064
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.2763 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.2763 0.2803
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Leishmania major thioredoxin, putative 0.0009 0.0846 0.0859
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Toxoplasma gondii thioredoxin, putative 0.0009 0.0846 0.0859
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.2763 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.9855 1
Treponema pallidum NADH oxidase 0.0018 0.2763 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.9855 1
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Echinococcus granulosus thioredoxin 0.0009 0.0846 0.0846
Schistosoma mansoni thioredoxin 0.0009 0.0846 0.0846
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Leishmania major trypanothione reductase 0.0051 0.9855 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.2763 0.2803
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Echinococcus multilocularis thioredoxin 0.0009 0.0846 0.0846
Trypanosoma cruzi thioredoxin, putative 0.0009 0.0846 0.0859
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.2763 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.2763 0.2803
Trypanosoma brucei thioredoxin 0.0009 0.0846 0.0859
Echinococcus multilocularis thioredoxin 1 0.0009 0.0846 0.0846
Wolbachia endosymbiont of Brugia malayi thioredoxin 0.0009 0.0846 0.3064
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064
Plasmodium falciparum glutathione reductase 0.0018 0.2763 0.2803
Toxoplasma gondii thioredoxin-like protein TLP1 0.0009 0.0846 0.0859
Mycobacterium ulcerans thioredoxin TrxB1 0.0009 0.0846 0.3064
Trichomonas vaginalis thioredoxin f-type, putative 0.0009 0.0846 0.3064
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.2763 1
Trichomonas vaginalis thioredoxin m(mitochondrial)-type, putative 0.0009 0.0846 0.3064
Echinococcus multilocularis thioredoxin 2 0.0009 0.0846 0.0846
Treponema pallidum thioredoxin (trx) 0.0009 0.0846 0.3064
Plasmodium vivax glutathione reductase, putative 0.0051 0.9855 1
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0846 0.3064
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.2763 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0018 0.2763 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Trichomonas vaginalis thioredoxin f-type, putative 0.0009 0.0846 0.3064
Mycobacterium ulcerans thioredoxin TrxB1 0.0009 0.0846 0.3064
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.2763 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.2763 0.2803
Echinococcus multilocularis thioredoxin, mitochondrial 0.0009 0.0846 0.0846
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0846 0.3064
Trichomonas vaginalis thioredoxin, putative 0.0009 0.0846 0.3064

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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