Detailed information for compound 837766

Basic information

Technical information
  • TDR Targets ID: 837766
  • Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5,5- dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidaz ol-2-one
  • MW: 401.436 | Formula: C19H19N3O5S
  • H donors: 0 H acceptors: 5 LogP: 2.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2ccc(cc2)[N+](=O)[O-])C2C(N1c1ccc(c(c1)C)C)CS(=O)(=O)C2
  • InChi: 1S/C19H19N3O5S/c1-12-3-4-16(9-13(12)2)21-18-11-28(26,27)10-17(18)20(19(21)23)14-5-7-15(8-6-14)22(24)25/h3-9,17-18H,10-11H2,1-2H3
  • InChiKey: OGZOITFFPLASDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dimethylphenyl)-5,5-diketo-3-(4-nitrophenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one

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 Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0023 0.0118 0.0427
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.036 0.1195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.036 0.1195
Trichomonas vaginalis glucosylceramidase, putative 0.0239 0.2762 1
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.026 0.3008 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0045 0.0388 0.1404
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1861 0.6616
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.0065 0.0217
Schistosoma mansoni hypothetical protein 0.0045 0.0388 0.1289
Echinococcus granulosus Squalene phytoene synthase 0.026 0.3008 1
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Trypanosoma cruzi squalene synthase, putative 0.0833 1 1
Leishmania major hypothetical protein, conserved 0.026 0.3008 0.3008
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0422 0.1403
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.036 0.1195
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.026 0.3008 1
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Brugia malayi Cytochrome P450 family protein 0.0018 0.0065 0.0237
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.036 0.1302
Mycobacterium leprae Conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0065 0.0217
Onchocerca volvulus Glucosylceramidase homolog 0.0157 0.1758 0.5228
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.026 0.3008 1
Trichomonas vaginalis glucosylceramidase, putative 0.0239 0.2762 1
Brugia malayi hypothetical protein 0.0219 0.2516 0.9108
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0065 0.0217
Loa Loa (eye worm) hypothetical protein 0.0219 0.2516 0.8362
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0239 0.2762 1
Leishmania major cytochrome p450-like protein 0.0018 0.0065 0.0065
Trichomonas vaginalis glucosylceramidase, putative 0.0239 0.2762 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.036 0.1195
Trypanosoma cruzi phytoene synthase, putative 0.026 0.3008 0.3008
Toxoplasma gondii cytochrome p450 superfamily protein 0.0013 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0065 0.0065
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0143 0.0476
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1861 0.6616
Trypanosoma cruzi squalene synthase, putative 0.0833 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0219 0.2516 0.8362
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0239 0.2762 0.918
Echinococcus multilocularis Squalene phytoene synthase 0.026 0.3008 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.036 0.1195
Trichomonas vaginalis glucosylceramidase, putative 0.0239 0.2762 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.036 0.1195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.036 0.1195
Mycobacterium ulcerans phytoene synthase, CrtB 0.026 0.3008 1
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0143 0.0476
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.036 0.1195
Trichomonas vaginalis glucosylceramidase, putative 0.0239 0.2762 1
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Trichomonas vaginalis glucosylceramidase, putative 0.0157 0.1758 0.6229
Brugia malayi Cytochrome P450 family protein 0.0048 0.0422 0.1528
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0065 0.0217
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0023 0.0118 0.0392
Schistosoma mansoni survival motor neuron protein 0.0045 0.0388 0.1289
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0271
Echinococcus granulosus survival motor neuron protein 1 0.0219 0.2516 0.8362
Trypanosoma brucei squalene synthase, putative 0.0833 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0023 0.0118 0.0392
Loa Loa (eye worm) hypothetical protein 0.026 0.3008 1
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0065 0.0065
Mycobacterium leprae putative cytochrome p450 0.0013 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0018 0.0065 0.0237
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0023 0.0118 0.0392
Trichomonas vaginalis glucosylceramidase, putative 0.0239 0.2762 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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