Detailed information for compound 107287

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 123.109 | Formula: C6H5NO2
  • H donors: 2 H acceptors: 1 LogP: 0.85 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1coc2c1[nH]cc2
  • InChi: 1S/C6H5NO2/c8-4-3-9-5-1-2-7-6(4)5/h1-3,7-8H
  • InChiKey: BGGNGMKTBJILKC-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
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0322 0.177 0.1665
Brugia malayi hypoxia-induced factor 1 0.0315 0.173 0.4375
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0087 0.0361 0.0238
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0096 0.0242
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0087 0.0361 0.0913
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0687 0.3955 1
Echinococcus multilocularis lamin dm0 0.0027 0.0004 0.001
Plasmodium falciparum acyl carrier protein 0.0047 0.0126 0.5
Schistosoma mansoni hypothetical protein 0.0322 0.177 0.4474
Schistosoma mansoni patched 1 0.0042 0.0096 0.0242
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0047 0.0126 0.0125
Onchocerca volvulus 0.0047 0.0126 0.0614
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0687 0.3955 1
Mycobacterium leprae conserved hypothetical protein 0.0047 0.0126 0.0125
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.0433 0.1095
Brugia malayi bHLH-PAS transcription factor 0.0075 0.0294 0.0743
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0322 0.177 0.4474
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0687 0.3955 0.3878
Loa Loa (eye worm) hypothetical protein 0.0083 0.0341 0.0862
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0047 0.0126 0.5
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0087 0.0361 0.0238
Onchocerca volvulus 0.0026 0.0001 0.0004
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1695 1 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0341 0.0862
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0004 0.001
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0687 0.3955 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0047 0.0126 0.0318
Echinococcus multilocularis aryl hydrocarbon receptor 0.0026 0.0001 0.0002
Onchocerca volvulus 0.0087 0.0361 0.1764
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0026 0.0001 0.0002
Chlamydia trachomatis acyl carrier protein 0.0047 0.0126 1
Onchocerca volvulus 0.0047 0.0126 0.0614
Plasmodium vivax acyl carrier protein, putative 0.0047 0.0126 0.5
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0687 0.3955 1
Onchocerca volvulus Fatty acid synthase homolog 0.0047 0.0126 0.0614
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0126 0.0318
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0002
Echinococcus multilocularis lamin 0.0027 0.0004 0.001
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0047 0.0126 0.0125
Schistosoma mansoni hypothetical protein 0.0041 0.0087 0.0219
Toxoplasma gondii acyl carrier protein ACP 0.0047 0.0126 0.5
Mycobacterium ulcerans putative regulatory protein 0.0075 0.0294 0.017
Brugia malayi CHE-14 protein 0.0042 0.0096 0.0242
Brugia malayi PAS domain containing protein 0.0102 0.0452 0.1144
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0047 0.0126 0.0316
Loa Loa (eye worm) acyl carrier protein 0.0047 0.0126 0.0318
Echinococcus granulosus lamin 0.0027 0.0004 0.001
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.0433 0.1095
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0004 0.001
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0341 0.0862
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0341 0.0862
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0047 0.0126 0.0125
Mycobacterium leprae Polyketide synthase Pks13 0.0047 0.0126 0.0125
Echinococcus multilocularis expressed conserved protein 0.0093 0.0397 0.1004
Echinococcus multilocularis protein dispatched 1 0.0048 0.0132 0.0333
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0047 0.0126 0.0318
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0087 0.0361 0.0913
Loa Loa (eye worm) hypothetical protein 0.0047 0.0126 0.0318
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0126 0.0318
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0047 0.0126 0.0125
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0047 0.0126 0.0318
Toxoplasma gondii type I fatty acid synthase, putative 0.0047 0.0126 0.5
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0687 0.3955 1
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0687 0.3955 1
Brugia malayi hypothetical protein 0.0087 0.0361 0.0913
Onchocerca volvulus 0.0087 0.0361 0.1764
Schistosoma mansoni hypothetical protein 0.0041 0.0087 0.0219
Mycobacterium ulcerans membrane protein ComEA 0.0153 0.0759 0.0641
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0047 0.0126 0.0125
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0687 0.3955 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0026 0.0001 0.0002
Loa Loa (eye worm) acyl carrier protein 0.0047 0.0126 0.0318
Echinococcus granulosus NADH dehydrogenase 0.0047 0.0126 0.0318
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0368 0.2047 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0442 0.1118
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0687 0.3955 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0004 0.001
Echinococcus granulosus expressed conserved protein 0.0093 0.0397 0.1004
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0687 0.3955 0.3878
Schistosoma mansoni aryl hydrocarbon receptor 0.0102 0.0452 0.1144
Onchocerca volvulus 0.0027 0.0004 0.002
Schistosoma mansoni hypothetical protein 0.0041 0.0087 0.0219
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0026 0.0001 0.0002
Echinococcus granulosus lamin dm0 0.0027 0.0004 0.001
Treponema pallidum nitrogen fixation protein (rnfC) 0.0153 0.0759 1
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0047 0.0126 0.0318
Onchocerca volvulus 0.0075 0.0294 0.1435
Leishmania major acyl carrier protein, putative 0.0047 0.0126 0.0316
Echinococcus granulosus single minded 2 0.0075 0.0294 0.0743
Echinococcus granulosus intermediate filament protein 0.0027 0.0004 0.001
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0687 0.3955 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.0433 0.1095
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0047 0.0126 0.0614
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0687 0.3955 1
Onchocerca volvulus 0.0027 0.0004 0.002
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0047 0.0126 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0047 0.0126 0.0125
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0047 0.0126 0.0125
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0341 0.0862
Mycobacterium tuberculosis Conserved hypothetical protein 0.0153 0.0759 0.0641
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0687 0.3955 1
Echinococcus granulosus acyl carrier protein mitochondrial 0.0047 0.0126 0.0318
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0047 0.0126 0.0318
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0322 0.177 0.4293
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0322 0.177 0.1665
Brugia malayi NADH dehydrogenase subunit 1 0.0087 0.0361 0.0913
Onchocerca volvulus 0.0083 0.0341 0.1666
Mycobacterium leprae Probable polyketide synthase Pks1 0.0047 0.0126 0.0125
Echinococcus multilocularis NADH dehydrogenase 0.0047 0.0126 0.0318
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0687 0.3955 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0001 0.0003
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0687 0.3955 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.0126 0.0318
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0126 0.0125
Brugia malayi Phosphopantetheine attachment site family protein 0.0047 0.0126 0.0318
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.0686 0.1736
Brugia malayi hypothetical protein 0.0342 0.1889 0.4776
Brugia malayi intermediate filament protein 0.0027 0.0004 0.001
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.0686 0.1736
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.0433 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0096 0.024
Schistosoma mansoni hypothetical protein 0.0047 0.0126 0.0318
Loa Loa (eye worm) hypothetical protein 0.0042 0.0096 0.0242
Echinococcus multilocularis musashi 0.0027 0.0004 0.001
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0096 0.0242
Schistosoma mansoni lamin 0.0027 0.0004 0.001
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0087 0.0361 0.0913
Schistosoma mansoni acyl carrier protein 0.0047 0.0126 0.0318
Loa Loa (eye worm) hypothetical protein 0.0099 0.0433 0.1095
Loa Loa (eye worm) hypothetical protein 0.0342 0.1889 0.4776
Schistosoma mansoni hypothetical protein 0.0041 0.0087 0.0219
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0096 0.0242
Mycobacterium ulcerans proteasome PrcA 0.1695 1 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0315 0.173 0.4375
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0047 0.0126 0.0318
Onchocerca volvulus 0.0047 0.0126 0.0614
Toxoplasma gondii type I fatty acid synthase, putative 0.0047 0.0126 0.5
Schistosoma mansoni single-minded 0.0102 0.0452 0.1144
Echinococcus multilocularis protein patched 0.0042 0.0096 0.0242
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0096 0.0242
Echinococcus granulosus aryl hydrocarbon receptor 0.0026 0.0001 0.0002
Echinococcus granulosus AMP dependent ligase 0.0047 0.0126 0.0318
Echinococcus multilocularis transfer RNA-Lys 0.0075 0.0294 0.0743
Echinococcus multilocularis AMP dependent ligase 0.0047 0.0126 0.0318
Loa Loa (eye worm) hypothetical protein 0.0052 0.0153 0.0386
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.001
Schistosoma mansoni lamin 0.0027 0.0004 0.001
Schistosoma mansoni intermediate filament proteins 0.0027 0.0004 0.001

Activities

Activity type Activity value Assay description Source Reference
logD (ADMET) = 1.07 Partition coefficient (logD) ChEMBL. 2549245

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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