Detailed information for compound 630883

Basic information

Technical information
  • TDR Targets ID: 630883
  • Name: N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitrobenz amide
  • MW: 300.266 | Formula: C15H12N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccc2c(c1)OCO2
  • InChi: 1S/C15H12N2O5/c1-9-2-3-10(6-12(9)17(19)20)15(18)16-11-4-5-13-14(7-11)22-8-21-13/h2-7H,8H2,1H3,(H,16,18)
  • InChiKey: PGBICDFQBJOJBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitro-benzamide
  • IVK/6226758
  • Oprea1_787121
  • ZINC00437609

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
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.037 0.0365
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.1042
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.037 0.0272
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0891 0.3781
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.037 0.0272
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.037 0.213
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.037 0.085
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0292 0.0631
Toxoplasma gondii ABC1 family protein 0.0073 0.037 0.085
Loa Loa (eye worm) hypothetical protein 0.0139 0.0994 0.4323
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0139 0.0994 0.2569
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0568 0.0791
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0215 0.1705 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0292 0.0988
Mycobacterium ulcerans beta-lactamase 0.0073 0.037 1
Schistosoma mansoni hypothetical protein 0.0177 0.1347 0.7718
Brugia malayi RNA binding protein 0.0064 0.0292 0.0407
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0292 0.0988
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.037 0.0272
Echinococcus multilocularis geminin 0.0177 0.1347 0.1421
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.037 0.1042
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0072 0.0361 0.0811
Echinococcus granulosus geminin 0.0177 0.1347 0.3819
Onchocerca volvulus 0.0073 0.037 0.0201
Loa Loa (eye worm) beta-lactamase 0.0073 0.037 0.1042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0568 0.2747
Mycobacterium leprae Probable lipase LipE 0.0073 0.037 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 0.2072 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0171 0.1293 0.5897
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0292 0.0631
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0292 0.0988
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0139 0.0994 0.1384
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0072 0.0361 0.2076
Mycobacterium ulcerans lipase LipD 0.0073 0.037 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0065 0.0302 0.0554
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0215 0.1705 0.6576
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0568 0.2083
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.037 0.1486
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0185 0.0304
Echinococcus multilocularis tumor protein p63 0.0363 0.3096 0.3721
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0267 0.0827
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0465 0.4059 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0072 0.0361 0.0503
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0215 0.1705 0.5084
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0139 0.0994 0.0956
Brugia malayi TAR-binding protein 0.0064 0.0292 0.0407
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0215 0.1705 0.6576
Schistosoma mansoni survival motor neuron protein 0.0052 0.0173 0.0225
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.037 0.0272
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0104 0.066 0.2142
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0071 0.035 0.0292
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0292 0.0988
Brugia malayi hypothetical protein 0.0254 0.2072 0.2885
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0215 0.1705 1
Brugia malayi Telomerase reverse transcriptase 0.0797 0.7183 1
Brugia malayi beta-lactamase 0.0073 0.037 0.0516
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0173 0.024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.087 0.7869 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.1042
Brugia malayi beta-lactamase family protein 0.0073 0.037 0.0516
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.037 0.213
Loa Loa (eye worm) hypothetical protein 0.0076 0.0397 0.1184
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0072 0.0361 0.2076
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0148 0.1073 0.6271
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0208 0.1645 0.9619
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.1042
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0292 0.0988
Mycobacterium leprae conserved hypothetical protein 0.0073 0.037 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0095 0.0581 0.2831
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.1705 0.2374
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0292 0.0033
Schistosoma mansoni hypothetical protein 0.0052 0.0173 0.0225
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.037 0.0516
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.037 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0072 0.0361 0.1428
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.037 0.213
Loa Loa (eye worm) hypothetical protein 0.0071 0.035 0.0933
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.1042
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0292 0.0407
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0072 0.0361 0.2076
Schistosoma mansoni tsg101-related 0.0059 0.0239 0.0646
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0267 0.0827
Leishmania major telomerase reverse transcriptase, putative 0.03 0.2503 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0302 0.068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0568 0.2747
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0215 0.1705 0.1892
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.037 0.0272
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.037 0.1486
Plasmodium vivax telomerase reverse transcriptase, putative 0.03 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0185 0.0067
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.03 0.2503 1
Entamoeba histolytica hypothetical protein 0.0171 0.1293 0.7369
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0148 0.1073 0.6271
Leishmania major hypothetical protein, conserved 0.0073 0.037 0.085
Onchocerca volvulus 0.0073 0.037 0.0201
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.037 0.085
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.037 0.213
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.037 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.037 0.085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0568 0.1064
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0891 0.3781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0568 0.0396
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0072 0.0361 0.1428
Brugia malayi beta-lactamase family protein 0.0073 0.037 0.0516
Trypanosoma brucei telomerase reverse transcriptase 0.03 0.2503 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0215 0.1705 1
Brugia malayi hypothetical protein 0.0071 0.035 0.0487
Loa Loa (eye worm) RNA binding protein 0.0064 0.0292 0.0631
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.2072 0.6382
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0215 0.1705 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.0292 0.0089
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.037 0.0272
Echinococcus granulosus tumor protein p63 0.0363 0.3096 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0267 0.0406
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.03 0.2503 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.037 0.0272
Plasmodium falciparum telomerase reverse transcriptase 0.03 0.2503 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.037 0.0272
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.037 0.0136
Brugia malayi hypothetical protein 0.0052 0.0172 0.024
Mycobacterium tuberculosis Conserved protein 0.0073 0.037 0.0272
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0171 0.1293 0.7369
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0215 0.1705 1
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0071 0.035 0.0109
Giardia lamblia Telomerase catalytic subunit 0.03 0.2503 1
Mycobacterium ulcerans hypothetical protein 0.0073 0.037 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0267 0.0406
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.1042
Schistosoma mansoni hypothetical protein 0.0177 0.1347 0.7718
Toxoplasma gondii RNA-directed DNA polymerase 0.03 0.2503 1
Plasmodium vivax hypothetical protein, conserved 0.0073 0.037 0.085
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.1042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0568 0.1064
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.2072 0.2375
Schistosoma mansoni tsg101-related 0.0059 0.0239 0.0646
Brugia malayi MH2 domain containing protein 0.0128 0.0891 0.124
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0072 0.0361 0.1428
Trichomonas vaginalis esterase, putative 0.0073 0.037 0.213
Onchocerca volvulus 0.0053 0.0185 0.0013
Onchocerca volvulus 0.0073 0.037 0.0201
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0072 0.0361 0.0811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0568 0.0396
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.037 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0568 0.2747
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.037 0.213

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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