Detailed information for compound 794868

Basic information

Technical information
  • TDR Targets ID: 794868
  • Name: 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo- 4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-ca rbonitrile
  • MW: 420.484 | Formula: C22H20N4O3S
  • H donors: 1 H acceptors: 4 LogP: 4.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C22H20N4O3S/c1-22(2)10-16-20(17(27)11-22)19(18-4-3-9-30-18)15(12-23)21(24)25(16)13-5-7-14(8-6-13)26(28)29/h3-9,19H,10-11,24H2,1-2H3
  • InChiKey: ACXKATXEEQBQMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
  • 2-amino-5-keto-7,7-dimethyl-1-(4-nitrophenyl)-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
  • A1268/0058010

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
Trichomonas vaginalis N-myristoyl transferase, putative 0.0401 0.5241 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0439 0.0837
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0145 0.5
Loa Loa (eye worm) N-myristoyltransferase 2 0.0401 0.5241 1
Loa Loa (eye worm) inositol-1 0.004 0.0145 0.0277
Loa Loa (eye worm) hypothetical protein 0.015 0.1699 0.3242
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.005 0.0294 0.0562
Echinococcus multilocularis geminin 0.017 0.1982 0.1982
Onchocerca volvulus Alhambra homolog 0.0029 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0087 0.0087
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0087 0.0087
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1275 0.2433
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0161 0.0161
Echinococcus multilocularis microtubule associated protein 2 0.0739 1 1
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0401 0.5241 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0161 0.0161
Echinococcus multilocularis muscleblind protein 0.015 0.1699 0.1699
Schistosoma mansoni jumonji domain containing protein 0.0076 0.066 0.066
Schistosoma mansoni hypothetical protein 0.0036 0.0096 0.0096
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0145 0.0095
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0145 0.0145
Echinococcus granulosus geminin 0.017 0.1982 0.1982
Brugia malayi Muscleblind-like protein 0.015 0.1699 0.3242
Schistosoma mansoni hypothetical protein 0.017 0.1982 0.1982
Schistosoma mansoni N-myristoyltransferase 0.0401 0.5241 0.5241
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0087 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0739 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0087 0.0165
Brugia malayi N-myristoyltransferase 2 0.0401 0.5241 1
Giardia lamblia CDC72 0.0401 0.5241 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0096 0.0096
Leishmania major N-myristoyl transferase, putative 0.0401 0.5241 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0401 0.5241 1
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0401 0.5241 0.5241
Brugia malayi jmjC domain containing protein 0.0035 0.0087 0.0165
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0401 0.5241 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0087 0.0087
Brugia malayi MH2 domain containing protein 0.012 0.1275 0.2433
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0145 0.5
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0401 0.5241 0.5241
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0096 0.0096
Brugia malayi jmjC domain containing protein 0.0096 0.0937 0.1788
Loa Loa (eye worm) hypothetical protein 0.015 0.1699 0.3242
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0401 0.5241 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0401 0.5241 1
Echinococcus multilocularis muscleblind protein 1 0.015 0.1699 0.1699
Brugia malayi hypothetical protein 0.0036 0.0096 0.0184
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0937 0.0937
Trypanosoma brucei N-myristoyltransferase 0.0401 0.5241 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0096 0.0096
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0937 0.0937
Schistosoma mansoni inositol monophosphatase 0.004 0.0145 0.0145
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0087 0.0087
Schistosoma mansoni hypothetical protein 0.017 0.1982 0.1982
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0145 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1275 0.2433
Schistosoma mansoni inositol monophosphatase 0.004 0.0145 0.0145
Trypanosoma brucei N-myristoyl transferase, putative 0.0401 0.5241 1
Echinococcus granulosus muscleblind protein 0.015 0.1699 0.1699
Brugia malayi Inositol-1 0.004 0.0145 0.0277
Trichomonas vaginalis N-myristoyl transferase, putative 0.0264 0.3302 0.6195
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0087 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.
 
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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