Detailed information for compound 1850679

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 249.262 | Formula: C13H15NO4
  • H donors: 3 H acceptors: 4 LogP: 2.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCC1)Nc1cccc(c1O)C(=O)O
  • InChi: 1S/C13H15NO4/c15-11-9(13(17)18)6-3-7-10(11)14-12(16)8-4-1-2-5-8/h3,6-8,15H,1-2,4-5H2,(H,14,16)(H,17,18)
  • InChiKey: XFFPMFCTAYOAIK-UHFFFAOYSA-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
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3303 0.3771
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0494 0.0564
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.8184 0.8184
Loa Loa (eye worm) hypothetical protein 0.0159 0.8758 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.2342 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2342 0.2342
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0638 0.0784
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.5966 0.8837
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0638 0.0784
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2342 0.2674
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0638 0.0784
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0494 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.0638 0.0638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0638 0.0638
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.2063 0.8491
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0638 0.0784
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1851 0.7342
Toxoplasma gondii thioredoxin reductase 0.0049 0.2342 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3303 0.3303
Echinococcus multilocularis muscleblind protein 1 0.0159 0.8758 0.8758
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0494 0.0494
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1851 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0638 0.1067
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.6686 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3303 0.3303
Brugia malayi TAR-binding protein 0.0065 0.3303 0.3771
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.2063 0.8491
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3303 0.3771
Plasmodium falciparum glutathione reductase 0.0049 0.2342 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.6686 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0494 0.0494
Schistosoma mansoni hypothetical protein 0.018 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3303 0.3771
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0638 0.0923
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3303 0.3303
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2342 1
Trypanosoma brucei trypanothione reductase 0.0049 0.2342 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.2342 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0494 0.0494
Echinococcus granulosus muscleblind protein 0.0159 0.8758 0.8758
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0638 1
Leishmania major trypanothione reductase 0.0049 0.2342 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0233 0.0267
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.7941 0.7941
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.2063 1
Schistosoma mansoni hypothetical protein 0.018 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3303 0.3303
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.8184 0.9345
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.6686 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0638 0.0784
Echinococcus multilocularis muscleblind protein 0.0159 0.8758 0.8758
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.5966 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2342 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.5966 0.8837
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0638 0.0923
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3303 0.3303
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0233 0.0267
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.6655 0.7599
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.6655 0.7599
Brugia malayi Thioredoxin reductase 0.0049 0.2342 0.2674
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0638 0.0638
Echinococcus granulosus tar DNA binding protein 0.0065 0.3303 0.3303
Brugia malayi glutathione reductase 0.0049 0.2342 0.2674
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1851 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0638 0.0729
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0638 0.0729
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.2063 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2342 0.2985
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.5966 0.8837
Mycobacterium tuberculosis Probable reductase 0.0111 0.5966 0.8837
Schistosoma mansoni ap endonuclease 0.0019 0.0638 0.0638
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.6686 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.3303 0.3771
Loa Loa (eye worm) hypothetical protein 0.0159 0.8758 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.2342 0.2674
Loa Loa (eye worm) acetyltransferase 0.0149 0.8184 0.9345
Brugia malayi RNA binding protein 0.0065 0.3303 0.3771
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0638 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0638 1
Echinococcus multilocularis geminin 0.018 1 1
Brugia malayi Muscleblind-like protein 0.0159 0.8758 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0638 0.0784
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0638 0.0234
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.2063 0.2063
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3303 0.3303
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.2063 0.8491
Brugia malayi MH2 domain containing protein 0.0123 0.6655 0.7599
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.8184 0.8184
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2342 0.2342
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.5966 0.8837
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0638 0.0784

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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