Detailed information for compound 625437

Basic information

Technical information
  • TDR Targets ID: 625437
  • Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methyl phenyl)ethanone
  • MW: 246.328 | Formula: C13H14N2OS
  • H donors: 0 H acceptors: 2 LogP: 2.63 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)CSc1nccn1C
  • InChi: 1S/C13H14N2OS/c1-10-3-5-11(6-4-10)12(16)9-17-13-14-7-8-15(13)2/h3-8H,9H2,1-2H3
  • InChiKey: GNNBSOAZCBHUEU-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(1-methyl-2-imidazolyl)thio]-1-(4-methylphenyl)ethanone
  • 2-[(1-methylimidazol-2-yl)thio]-1-(4-methylphenyl)ethanone
  • ZINC01506452

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
Toxoplasma gondii thioredoxin reductase 0.0046 0.254 0.7376
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.254 0.7376
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0044 0.2396 0.6897
Trypanosoma cruzi 20S proteasome subunit 0.0027 0.1154 0.2786
Plasmodium falciparum thioredoxin reductase 0.0046 0.254 0.7376
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0027 0.1154 0.2786
Mycobacterium ulcerans proteasome PrcB 0.0056 0.3333 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.254 0.6362
Brugia malayi proteasome subunit beta type 1 0.0044 0.2396 0.7189
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0027 0.1154 0.2786
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0313 0.5
Brugia malayi Proteasome A-type and B-type family protein 0.0056 0.3333 1
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0027 0.1154 0.2786
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0044 0.2396 0.6897
Echinococcus multilocularis proteasome (prosome, macropain) 0.0056 0.3333 1
Treponema pallidum NADH oxidase 0.0016 0.0313 0.5
Brugia malayi Thioredoxin reductase 0.0046 0.254 0.7622
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0044 0.2396 0.215
Plasmodium vivax proteasome subunit beta type-1, putative 0.0044 0.2396 0.6897
Mycobacterium tuberculosis Probable reductase 0.0104 0.6906 0.8837
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0027 0.1154 0.2786
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7773 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0056 0.3333 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0044 0.2396 0.6897
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0027 0.1154 0.0868
Brugia malayi glutathione reductase 0.0046 0.254 0.7622
Plasmodium vivax proteasome subunit beta type-2, putative 0.0027 0.1154 0.2786
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.6906 0.8837
Trypanosoma brucei trypanothione reductase 0.0046 0.254 0.7376
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0313 0.0941
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0056 0.3333 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0056 0.3333 1
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0027 0.1154 0.2786
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0056 0.3333 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0044 0.2396 0.5699
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0027 0.1154 0.2786
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.6906 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.254 0.2985
Loa Loa (eye worm) proteasome subunit beta type 1 0.0044 0.2396 0.5699
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0056 0.3333 0.3117
Giardia lamblia Proteasome subunit beta type 1 0.0044 0.2396 0.6897
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0027 0.1154 0.2786
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0044 0.2396 0.6897
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.6906 0.8837
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0056 0.3333 1
Plasmodium falciparum proteasome subunit beta type-5 0.0056 0.3333 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7773 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0056 0.3333 0.4047
Leishmania major proteasome beta 2 subunit, putative 0.0027 0.1154 0.2786
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0027 0.1154 0.0868
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.6906 0.8837
Leishmania major proteasome beta 5 subunit, putative 0.0056 0.3333 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0027 0.1154 0.2786
Plasmodium falciparum glutathione reductase 0.0046 0.254 0.7376
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0313 0.5
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.6906 0.8047
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0044 0.2396 0.6897
Leishmania major trypanothione reductase 0.0046 0.254 0.7376
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0056 0.3333 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.254 0.7376
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.254 0.6362
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.7773 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0056 0.3333 1
Giardia lamblia Proteasome subunit beta type 2 0.0027 0.1154 0.2786
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0044 0.2396 0.6897
Trypanosoma brucei proteasome beta 6 subunit 0.0044 0.2396 0.6897
Echinococcus granulosus proteasome prosome macropain 0.0056 0.3333 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0044 0.2396 0.6897
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.254 0.7376
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0044 0.2396 0.6897
Plasmodium vivax glutathione reductase, putative 0.0046 0.254 0.7376
Brugia malayi proteasome subunit beta type 2 0.0027 0.1154 0.3464
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.254 0.7376
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.6906 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7773 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0056 0.3333 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0056 0.3333 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0313 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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