Detailed information for compound 891459

Basic information

Technical information
  • TDR Targets ID: 891459
  • Name: N-(4-acetamidophenyl)-4-methoxy-3-nitrobenzam ide
  • MW: 329.307 | Formula: C16H15N3O5
  • H donors: 2 H acceptors: 4 LogP: 1.73 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)NC(=O)C
  • InChi: 1S/C16H15N3O5/c1-10(20)17-12-4-6-13(7-5-12)18-16(21)11-3-8-15(24-2)14(9-11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
  • InChiKey: MDNJPDFLIUYIKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetamidophenyl)-4-methoxy-3-nitro-benzamide
  • AG-690/09500020
  • ZINC00291660
  • Oprea1_391438
  • BIM-0015485.P001
  • CBMicro_015658
  • BAS 00345886
  • N-(4-Acetylamino-phenyl)-4-methoxy-3-nitro-benzamide
  • Oprea1_282831

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
Schistosoma mansoni hypothetical protein 0.0047 0.0315 0.1018
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0128 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0053 0.0439 0.1421
Brugia malayi ecdysteroid receptor 0.0403 0.8057 0.8057
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.0478 0.1107
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0053 0.0439 0.0439
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0439 0.0439
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0439 0.1421
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0492 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0258 0.0598
Echinococcus granulosus ecdysone induced protein 78C 0.0053 0.0439 0.1017
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0128 1
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0439 0.1421
Loa Loa (eye worm) mucolipin 1 0.0068 0.0767 0.0767
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0439 0.0439
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.0478 0.0478
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.1537 0.1537
Schistosoma mansoni hypothetical protein 0.0175 0.3092 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0258 0.0835
Loa Loa (eye worm) hypothetical protein 0.0037 0.0084 0.0084
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0053 0.0439 0.1017
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0053 0.0439 0.0439
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0478 1
Brugia malayi nuclear receptor RXR 0.0037 0.0084 0.0084
Echinococcus multilocularis geminin 0.0175 0.3092 0.7156
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0053 0.0439 0.1017
Schistosoma mansoni mucolipin 0.0062 0.0643 0.2079
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0576 0.1333
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0084 0.0084
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.0478 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0258 0.0598
Echinococcus granulosus mucolipin 3 0.0068 0.0767 0.1774
Brugia malayi nuclear hormone receptor 0.0053 0.0439 0.0439
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0128 0.0296
Onchocerca volvulus Protein ultraspiracle homolog 0.0053 0.0439 0.0161
Loa Loa (eye worm) hypothetical protein 0.0037 0.0084 0.0084
Onchocerca volvulus Bile acid receptor homolog 0.0403 0.8057 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0053 0.0439 0.0439
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0439 0.0439
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0128 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0439 0.0439
Brugia malayi Coelomocyte uptake defective protein 5 0.0068 0.0767 0.0767
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0053 0.0439 0.1421
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0053 0.0439 0.1017
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0053 0.0439 0.1421
Brugia malayi hypothetical protein 0.0037 0.0084 0.0084
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0258 0.0598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0053 0.0439 0.0439
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0053 0.0439 0.1017
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0826 0.0826
Loa Loa (eye worm) hypothetical protein 0.0037 0.0084 0.0084
Echinococcus granulosus geminin 0.0175 0.3092 0.7156
Loa Loa (eye worm) hypothetical protein 0.0071 0.0826 0.0826
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0053 0.0439 0.0439
Onchocerca volvulus 0.0053 0.0439 0.0161
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0053 0.0439 0.1017
Schistosoma mansoni retinoic acid receptor RXR 0.0053 0.0439 0.1421
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0576 0.1862
Schistosoma mansoni survival motor neuron protein 0.0047 0.0315 0.1018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Trypanosoma brucei protein kinase, putative 0.0055 0.0478 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.1537 0.1537
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0478 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0439 0.0439
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.0478 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.0439 0.1421
Echinococcus multilocularis thyroid hormone receptor alpha 0.0053 0.0439 0.1017
Loa Loa (eye worm) hypothetical protein 0.0231 0.4321 0.4321
Schistosoma mansoni RAR-like nuclear receptor 0.0053 0.0439 0.1421
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0576 0.1333
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0439 0.0439
Loa Loa (eye worm) hypothetical protein 0.0037 0.0084 0.0084
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0037 0.0084 0.0272
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0258 0.0598
Schistosoma mansoni hypothetical protein 0.0036 0.0072 0.0232
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0053 0.0439 0.0439
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0576 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0053 0.0439 0.0439
Brugia malayi steroid hormone receptor 0.0053 0.0439 0.0439
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0037 0.0084 0.0195
Brugia malayi hypothetical protein 0.0231 0.4321 0.4321
Schistosoma mansoni ap endonuclease 0.0039 0.0128 0.0413
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.0478 0.7825
Schistosoma mansoni coup transcription factor 0.0053 0.0439 0.1421
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0072 0.0166
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.0478 0.1107
Echinococcus multilocularis FTZ F1 alpha 0.0053 0.0439 0.1017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0439 0.1017
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0478 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0128 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0053 0.0439 0.0439
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0053 0.0439 0.0439
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0258 0.0835
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0576 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0072 0.0166
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0128 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.1537 0.1537
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0053 0.0439 0.1421
Brugia malayi photoreceptor-specific nuclear receptor 0.0053 0.0439 0.0439
Schistosoma mansoni hypothetical protein 0.0071 0.0826 0.2671
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.0478 0.1107
Loa Loa (eye worm) steroid hormone receptor 0.0053 0.0439 0.0439
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0128 0.0296
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0053 0.0439 0.0439
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0576 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0439 0.1017
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0053 0.0439 0.0439
Schistosoma mansoni steroid hormone receptor ad4bp 0.0053 0.0439 0.1421
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0053 0.0439 0.1017
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0576 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0576 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.0478 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0053 0.0439 0.1017
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0478 0.1547
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0258 0.0258
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.4321 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.0478 1
Schistosoma mansoni mucolipin 0.0068 0.0767 0.2479
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0576 0.1862
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0439 0.1017
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0037 0.0084 0.0195
Loa Loa (eye worm) hypothetical protein 0.0403 0.8057 0.8057
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0084 0.0084
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0037 0.0084 0.0084
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.4321 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.0478 0.7825
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0478 1
Brugia malayi hypothetical protein 0.0036 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0053 0.0439 0.0439
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.0478 0.1107
Schistosoma mansoni hypothetical protein 0.0175 0.3092 1
Brugia malayi hypothetical protein 0.0037 0.0084 0.0084
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0439 0.0439
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0258 0.0258
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0072 0.0232
Echinococcus multilocularis ecdysone induced protein 78C 0.0053 0.0439 0.1017
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0053 0.0439 0.1017
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0128 0.0128
Echinococcus multilocularis mucolipin 3 0.0068 0.0767 0.1774
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0053 0.0439 0.0161
Echinococcus granulosus FTZ F1 alpha 0.0053 0.0439 0.1017
Brugia malayi MAP kinase sur-1 0.0055 0.0478 0.0478
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0439 0.1017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0258 0.0835
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0478 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.0478 0.7825
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0053 0.0439 0.0439
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0439 0.1421
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0053 0.0439 0.0439
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0576 1
Brugia malayi nuclear receptor NHR-88 0.0053 0.0439 0.0439
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0053 0.0439 0.1017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0053 0.0439 0.0439
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0084 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0053 0.0439 0.0439
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.1537 0.1537
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0128 0.0128
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0053 0.0439 0.1421
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0478 1
Schistosoma mansoni ap endonuclease 0.0039 0.0128 0.0413

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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