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

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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