Detailed information for compound 899465

Basic information

Technical information
  • TDR Targets ID: 899465
  • Name: (3aS,4R,9bR)-6-methoxy-4-(3-methoxyphenyl)-8- nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qu inoline
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 1 H acceptors: 2 LogP: 4.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)[C@@H]1Nc2c(OC)cc(cc2[C@H]2[C@H]1CC=C2)[N+](=O)[O-]
  • InChi: 1S/C20H20N2O4/c1-25-14-6-3-5-12(9-14)19-16-8-4-7-15(16)17-10-13(22(23)24)11-18(26-2)20(17)21-19/h3-7,9-11,15-16,19,21H,8H2,1-2H3/t15-,16+,19+/m1/s1
  • InChiKey: PFUYSABXOOQSBD-GJYPPUQNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 DNA helicase recq, putative 0.002 0.0311 0.0046
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.028 0.8958
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0311 1
Plasmodium vivax SET domain protein, putative 0.003 0.062 1
Echinococcus granulosus bloom syndrome protein 0.002 0.0311 0.0916
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0311 0.0046
Loa Loa (eye worm) hypothetical protein 0.002 0.0311 0.0299
Toxoplasma gondii exonuclease III APE 0.0019 0.028 0.4514
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.062 1
Onchocerca volvulus 0.0238 0.6991 1
Schistosoma mansoni ap endonuclease 0.0019 0.028 0.4514
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.00000000025179
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0012 0.0191
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.062 1
Entamoeba histolytica recQ family helicase, putative 0.002 0.0311 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.062 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0311 0.0916
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.062 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0311 0.5017
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0012 0.0191
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0311 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0311 0.0916
Loa Loa (eye worm) hypothetical protein 0.003 0.062 0.0609
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0586 0.9006
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0311 0.0032
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.028 1
Loa Loa (eye worm) hypothetical protein 0.0337 1 1
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0311 0.0032
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.028 0.0268
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.028 0.8998
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0311 0.0032
Brugia malayi Pre-SET motif family protein 0.003 0.062 0.035
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.3248 0.324
Echinococcus multilocularis bloom syndrome protein 0.002 0.0311 0.0916
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.028 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0311 0.0916
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.6106 0.6101
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.062 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.028 0.8958
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.028 0.5
Schistosoma mansoni DNA helicase recq1 0.002 0.0311 0.5017
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0311 0.0046
Entamoeba histolytica recQ family DNA helicase 0.001 0.0012 0.0381
Giardia lamblia Hypothetical protein 0.0337 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.028 0.4514
Brugia malayi Pre-SET motif family protein 0.0209 0.6106 0.5994
Loa Loa (eye worm) hypothetical protein 0.0337 1 1
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0311 0.0032
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.062 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.028 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.062 1
Brugia malayi Protein kinase domain containing protein 0.0116 0.3248 0.3054
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0012 0.0191
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0311 1
Trichomonas vaginalis set domain proteins, putative 0.0238 0.6991 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0311 0.5017
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0311 0.5017
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0311 1
Brugia malayi Fibroblast growth factor family protein 0.0337 1 1
Loa Loa (eye worm) RecQ helicase 0.002 0.0311 0.0299
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0311 0.0916
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0311 0.0299
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.028 0.4514

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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