Detailed information for compound 835754

Basic information

Technical information
  • TDR Targets ID: 835754
  • Name: 4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyc lopenta[c]quinoline-8-carboxylic acid
  • MW: 336.341 | Formula: C19H16N2O4
  • H donors: 2 H acceptors: 4 LogP: 3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C19H16N2O4/c22-19(23)12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(24)25/h1-2,4-10,14-15,18,20H,3H2,(H,22,23)
  • InChiKey: UFPMJQOFADETFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • BIM-0021404.P001
  • CBMicro_021280
  • Oprea1_623078
  • Oprea1_464523
  • EU-0069207

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
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0056 0.0116
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0056 0.01
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0056 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.013 0.013
Echinococcus multilocularis glycogen phosphorylase 0.154 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0014 0.0016
Echinococcus granulosus glycogen phosphorylase 0.154 1 1
Brugia malayi Cytochrome P450 family protein 0.0045 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.0056
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0666 0.426 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.013 0.013
Schistosoma mansoni glycogen phosphorylase 0.0666 0.426 0.426
Schistosoma mansoni hypothetical protein 0.0184 0.1093 0.1093
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0056 0.0056
Onchocerca volvulus Glycogen phosphorylase homolog 0.154 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0231 0.0231
Trichomonas vaginalis glycogen phosphorylase, putative 0.154 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0056 0.01
Loa Loa (eye worm) hypothetical protein 0.0256 0.157 0.157
Mycobacterium ulcerans hypothetical protein 0.0026 0.0056 0.01
Entamoeba histolytica glycogenphosphorylase, putative 0.0666 0.426 0.4227
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0056 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.013 0.013
Echinococcus multilocularis geminin 0.0184 0.1093 0.1093
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0056 0.0056
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0242 0.0242
Chlamydia trachomatis glycogen phosphorylase 0.154 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.154 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.157 0.157
Loa Loa (eye worm) hypothetical protein 0.0054 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis Glycosyl transferase, family 35 0.154 1 1
Schistosoma mansoni hypothetical protein 0.0184 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.0056
Giardia lamblia Glycogen phosphorylase 0.154 1 0.5
Echinococcus multilocularis glycogen phosphorylase 0.154 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0014 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.154 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0056 0.5
Schistosoma mansoni glycogen phosphorylase 0.154 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.154 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0056 0.5
Schistosoma mansoni glycogen phosphorylase 0.154 1 1
Schistosoma mansoni hypothetical protein 0.0052 0.0231 0.0231
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.157 0.157
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.0056
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0242 0.0242
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0056 0.5
Schistosoma mansoni survival motor neuron protein 0.0052 0.0231 0.0231
Echinococcus granulosus glycogen phosphorylase 0.154 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0056 0.01
Onchocerca volvulus 0.0052 0.0231 0.0175
Entamoeba histolytica glycogen phosphorylase, putative 0.0666 0.426 0.4227
Trichomonas vaginalis glycogen phosphorylase, putative 0.154 1 0.5
Echinococcus granulosus geminin 0.0184 0.1093 0.1093
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0056 0.01
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0666 0.426 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0181 0.0181
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0056 0.0116
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0014 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0056 0.01
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0242 0.0242
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0056 0.01
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0056 0.01
Entamoeba histolytica glycogen phosphorylase, putative 0.0666 0.426 0.4227
Brugia malayi hypothetical protein 0.0256 0.157 0.157
Echinococcus granulosus Glycosyl transferase family 35 0.154 1 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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