Detailed information for compound 786652

Basic information

Technical information
  • TDR Targets ID: 786652
  • Name: 6,7-dimethoxy-2-(4-nitrophenyl)-3H-isoindol-1 -one
  • MW: 314.293 | Formula: C16H14N2O5
  • H donors: 0 H acceptors: 3 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)ccc2c1C(=O)N(C2)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C16H14N2O5/c1-22-13-8-3-10-9-17(16(19)14(10)15(13)23-2)11-4-6-12(7-5-11)18(20)21/h3-8H,9H2,1-2H3
  • InChiKey: DATVMTCBVLCBTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6,7-dimethoxy-2-(4-nitrophenyl)isoindolin-1-one
  • 6,7-dimethoxy-2-(4-nitrophenyl)-1-isoindolinone
  • EU-0017599
  • Oprea1_819458

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
Trypanosoma brucei prostaglandin f synthase 0.0226 0.1398 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0044 0.007 0.0014
Loa Loa (eye worm) hypothetical protein 0.0226 0.1398 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.057 0.3772
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0159 0.091 0.0847
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0065 0.0229 0.1205
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0014
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0226 0.1398 1
Giardia lamblia Aldose reductase 0.0226 0.1398 1
Schistosoma mansoni hypothetical protein 0.0062 0.0203 0.1015
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0226 0.1398 1
Onchocerca volvulus 0.0226 0.1398 1
Trypanosoma brucei aldo-keto reductase, putative 0.0226 0.1398 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0112 0.057 0.0505
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Trypanosoma cruzi aldo/keto reductase, putative 0.0065 0.0229 0.1205
Echinococcus multilocularis aldo keto reductase 0.0226 0.1398 0.1339
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0053 0.014 0.0536
Trypanosoma brucei RNA helicase, putative 0.0102 0.0491 0.3178
Toxoplasma gondii aldose reductase, putative 0.0226 0.1398 0.4285
Echinococcus granulosus voltage gated potassium channel subunit 0.0065 0.0229 0.0161
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Loa Loa (eye worm) oxidoreductase 0.0226 0.1398 1
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.044 0.2958 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0226 0.1398 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0226 0.1398 0.4602
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.044 0.2958 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0087 0.0384 0.2374
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0226 0.1398 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0159 0.091 0.0847
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0043 0.0068 0.0488
Schistosoma mansoni apoptosis regulator bax 0.0112 0.057 0.3772
Schistosoma mansoni aldo-keto reductase 0.0226 0.1398 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0043 0.0068 0.0488
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0226 0.1398 1
Loa Loa (eye worm) matrixin family protein 0.0097 0.0458 0.2931
Schistosoma mansoni hypothetical protein 0.0112 0.057 0.3772
Brugia malayi NADH-dependent xylose reductase 0.0065 0.0229 0.1205
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.0229 0.1635
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0065 0.0229 0.1205
Loa Loa (eye worm) oxidoreductase 0.0226 0.1398 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0112 0.057 0.3772
Echinococcus granulosus aldo keto reductase 0.0226 0.1398 0.1339
Mycobacterium ulcerans hypothetical protein 0.0065 0.0229 0.0555
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Onchocerca volvulus 0.0226 0.1398 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0087 0.0384 0.0318
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0014
Loa Loa (eye worm) oxidoreductase 0.0226 0.1398 1
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0106 0.0523 0.3418
Loa Loa (eye worm) hypothetical protein 0.0053 0.014 0.0536
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0043 0.0068 0.0488
Echinococcus granulosus aldo keto reductase 0.0226 0.1398 0.1339
Loa Loa (eye worm) hypothetical protein 0.0087 0.0384 0.2374
Onchocerca volvulus 0.0226 0.1398 1
Onchocerca volvulus 0.0087 0.0384 0.2363
Mycobacterium leprae Conserved hypothetical protein 0.0161 0.0921 0.2951
Giardia lamblia Aldose reductase 0.0226 0.1398 1
Mycobacterium ulcerans oxidoreductase 0.0226 0.1398 0.4602
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.044 0.2958 1
Schistosoma mansoni aldo-keto reductase 0.0226 0.1398 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Onchocerca volvulus 0.0065 0.0229 0.1193
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.044 0.2958 1
Echinococcus multilocularis aldo keto reductase 0.0226 0.1398 0.1339
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0112 0.057 0.0505
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0087 0.0384 0.0318
Schistosoma mansoni pol-related 0.0226 0.1398 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0226 0.1398 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Mycobacterium tuberculosis Conserved protein 0.0065 0.0229 0.1205
Trichomonas vaginalis aldo/keto reductase, putative 0.0226 0.1398 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0226 0.1398 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Mycobacterium ulcerans hydrolase 0.0053 0.014 0.0247
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Loa Loa (eye worm) matrixin family protein 0.0106 0.0522 0.341
Echinococcus multilocularis aldo keto reductase 0.0226 0.1398 0.1339
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0065 0.0229 0.1205
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Onchocerca volvulus 0.0226 0.1398 1
Schistosoma mansoni potassium channel beta 0.0065 0.0229 0.1205
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0053 0.014 0.0247
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Loa Loa (eye worm) apoptosis regulator protein 0.0112 0.057 0.3772
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Brugia malayi Hemopexin family protein 0.0062 0.0203 0.1015
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Brugia malayi Matrixin family protein 0.0044 0.007 0.0014
Echinococcus multilocularis aldehyde reductase 0.0161 0.0921 0.0859
Mycobacterium tuberculosis Probable oxidoreductase 0.0226 0.1398 1
Echinococcus multilocularis aldo keto reductase 0.0226 0.1398 0.1339
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.044 0.2958 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0226 0.1398 1
Brugia malayi Matrixin family protein 0.0044 0.007 0.0014
Echinococcus granulosus aldehyde reductase 0.0161 0.0921 0.0859
Entamoeba histolytica alcohol dehydrogenase, putative 0.0065 0.0229 0.1205
Brugia malayi Matrixin family protein 0.0044 0.007 0.0014
Trichomonas vaginalis aldo/keto reductase, putative 0.0226 0.1398 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Trypanosoma cruzi aldo/keto reductase, putative 0.0226 0.1398 1
Onchocerca volvulus 0.0226 0.1398 1
Entamoeba histolytica aldose reductase, putative 0.0226 0.1398 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Leishmania major prostaglandin f synthase, putative 0.0226 0.1398 1
Onchocerca volvulus 0.0062 0.0203 0.1002
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Trypanosoma cruzi aldo-keto reductase 0.0226 0.1398 1
Onchocerca volvulus Matrilysin homolog 0.0097 0.0458 0.2921
Echinococcus granulosus hypothetical protein 0.0226 0.1398 0.1339
Loa Loa (eye worm) hypothetical protein 0.0044 0.007 0.0014
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Trypanosoma brucei aldo/keto reductase, putative 0.0065 0.0229 0.1205
Trichomonas vaginalis aldo/keto reductase, putative 0.0226 0.1398 1
Entamoeba histolytica aldose reductase, putative 0.0226 0.1398 1
Loa Loa (eye worm) matrix metalloproteinase 0.0044 0.007 0.0014
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.044 0.2958 0.5
Entamoeba histolytica aldose reductase, putative 0.0226 0.1398 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0226 0.1398 1
Leishmania major aldo-keto reductase-like protein 0.0226 0.1398 1
Schistosoma mansoni hypothetical protein 0.0102 0.0491 0.3178
Brugia malayi Matrixin family protein 0.0106 0.0522 0.341
Loa Loa (eye worm) oxidoreductase 0.0226 0.1398 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0112 0.057 0.3772
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0043 0.0068 0.0488
Entamoeba histolytica alcohol dehydrogenase, putative 0.0065 0.0229 0.1205
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.0229 0.1635
Schistosoma mansoni hypothetical protein 0.0112 0.057 0.3772
Echinococcus granulosus aldo keto reductase 0.0226 0.1398 0.1339
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0053 0.014 0.0536
Onchocerca volvulus 0.0226 0.1398 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0087 0.0384 0.2374
Mycobacterium leprae Possible oxidoreductase 0.0065 0.0229 0.0555
Brugia malayi Matrixin family protein 0.0044 0.007 0.0014
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0097 0.0458 0.2921
Schistosoma mansoni hypothetical protein 0.0112 0.057 0.3772
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Echinococcus multilocularis voltage gated potassium channel subunit 0.0065 0.0229 0.0161
Loa Loa (eye worm) oxidoreductase 0.0226 0.1398 1
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.044 0.2958 1
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.044 0.2958 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0226 0.1398 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.1407 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0043 0.0068 0.0488
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0226 0.1398 0.1339
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0065 0.0229 0.1635
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0229 0.1635
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.0229 0.1635
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0226 0.1398 0.1339
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0065 0.0229 0.0161

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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