Detailed information for compound 616464

Basic information

Technical information
  • TDR Targets ID: 616464
  • Name: 1-(4-ethylphenyl)-3-(3-nitrophenyl)-2,5,6,7-t etrahydroimidazo[2,3-b][1,3]thiazin-4-ium-3-o l
  • MW: 384.472 | Formula: C20H22N3O3S+
  • H donors: 1 H acceptors: 3 LogP: 3.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)[N+]1=C2SCCCN2C(C1)(O)c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C20H22N3O3S/c1-2-15-7-9-17(10-8-15)21-14-20(24,22-11-4-12-27-19(21)22)16-5-3-6-18(13-16)23(25)26/h3,5-10,13,24H,2,4,11-12,14H2,1H3/q+1
  • InChiKey: FYKZUGLIALJPEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ChemDiv1_026850

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
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.3632 1
Brugia malayi hypothetical protein 0.0077 0.2285 0.6291
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0313 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.1361 0.3157
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0313 0.5
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Trypanosoma brucei polo-like protein kinase 0.011 0.3632 1
Trypanosoma cruzi trypanothione reductase, putative 0.0083 0.2535 0.6695
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.3632 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0083 0.2535 0.2985
Mycobacterium tuberculosis Probable dehydrogenase 0.019 0.6892 0.8837
Leishmania major trypanothione reductase 0.0083 0.2535 0.6695
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.019 0.6892 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0211 0.7757 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1126 0.201
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0313 0.5
Loa Loa (eye worm) glutathione reductase 0.0083 0.2535 0.6502
Giardia lamblia Kinase, PLK 0.011 0.3632 1
Schistosoma mansoni serine/threonine protein kinase 0.011 0.3632 0.3426
Plasmodium vivax glutathione reductase, putative 0.0083 0.2535 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1126 0.3101
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.1361 0.3157
Mycobacterium tuberculosis Probable reductase 0.019 0.6892 0.8837
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.2285 0.2036
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0211 0.7757 1
Schistosoma mansoni hypothetical protein 0.0033 0.0496 0.0189
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.3632 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.3632 1
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.3632 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.019 0.6892 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.3632 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1126 0.201
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.3632 0.5
Plasmodium falciparum thioredoxin reductase 0.0083 0.2535 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.3632 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0313 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.2285 0.5941
Treponema pallidum NADH oxidase 0.0029 0.0313 0.5
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Loa Loa (eye worm) thioredoxin reductase 0.0083 0.2535 0.6502
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.2555 0.6756
Brugia malayi Thioredoxin reductase 0.0083 0.2535 0.698
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0496 0.1366
Trichomonas vaginalis CAMK family protein kinase 0.011 0.3632 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1126 0.3101
Mycobacterium tuberculosis Probable oxidoreductase 0.0211 0.7757 1
Trypanosoma brucei trypanothione reductase 0.0083 0.2535 0.6695
Toxoplasma gondii thioredoxin reductase 0.0083 0.2535 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.2285 0.5941
Plasmodium falciparum glutathione reductase 0.0083 0.2535 1
Schistosoma mansoni hypothetical protein 0.0077 0.2285 0.2036
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0211 0.7757 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.019 0.6892 0.8837
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.3632 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0313 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0083 0.2535 1
Brugia malayi glutathione reductase 0.0083 0.2535 0.698
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0313 0.0861
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0313 0.5
Schistosoma mansoni kinase 0.0056 0.142 0.1143
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.2555 0.6756
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.019 0.6892 0.8837

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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