Detailed information for compound 723809

Basic information

Technical information
  • TDR Targets ID: 723809
  • Name: 3-(3-acetylphenyl)-1-(4-methyl-2-nitrophenyl) urea
  • MW: 313.308 | Formula: C16H15N3O4
  • H donors: 2 H acceptors: 4 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1[N+](=O)[O-])C)Nc1cccc(c1)C(=O)C
  • InChi: 1S/C16H15N3O4/c1-10-6-7-14(15(8-10)19(22)23)18-16(21)17-13-5-3-4-12(9-13)11(2)20/h3-9H,1-2H3,(H2,17,18,21)
  • InChiKey: LNQXTAMELOOULQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3-acetylphenyl)-1-(4-methyl-2-nitro-phenyl)urea
  • 3-(3-ethanoylphenyl)-1-(4-methyl-2-nitro-phenyl)urea
  • IVK/1638950
  • ZINC05063058

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 multilocularis neuropeptide receptor A26 0.0461 0.6069 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.2283 0.3761
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.2283 0.3761
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0174 0.209 1
Brugia malayi Bromodomain containing protein 0.0038 0.0217 0.0898
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0116 0.129 0.2126
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0174 0.209 0.5665
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0066 0.06 0.1625
Onchocerca volvulus 0.0048 0.0347 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0185 0.0304
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.032 0.0867
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0438 0.0722
Echinococcus multilocularis 6 phosphofructokinase 0.0108 0.1189 0.1959
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0174 0.209 1
Schistosoma mansoni hypothetical protein 0.0289 0.369 1
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.1189 0.3222
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1189 0.5483
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0174 0.209 1
Plasmodium falciparum phenylalanine--tRNA ligase 0.0084 0.0853 0.3802
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0438 0.0722
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0066 0.06 0.2532
Brugia malayi mbt repeat family protein 0.0048 0.0347 0.1528
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0745 1 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0438 0.1188
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0347 0.0941
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.1189 0.5184
Loa Loa (eye worm) hypothetical protein 0.0174 0.209 1
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0347 0.0688
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0745 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.1189 0.3222
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0174 0.209 1
Loa Loa (eye worm) MBCTL1 0.0054 0.0438 0.1174
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0438 0.1971
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0174 0.209 1
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0116 0.129 0.3497
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0513 0.0845
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0066 0.06 0.2532
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0174 0.209 0.3444
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.1189 0.5483
Loa Loa (eye worm) hypothetical protein 0.0041 0.0251 0.0174
Plasmodium falciparum phenylalanine--tRNA ligase 0.0116 0.129 0.5992
Echinococcus granulosus neuropeptide s receptor 0.0461 0.6069 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.0562 0.1523
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.1189 0.5184
Brugia malayi mbt repeat family protein 0.0048 0.0347 0.1528
Brugia malayi Bromodomain containing protein 0.0075 0.0724 0.3359
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0116 0.129 0.5726
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0174 0.209 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0347 0.0688
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.1189 0.5483
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0438 0.0722
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1189 0.5483
Brugia malayi phosphofructokinase 0.0108 0.1189 0.5618
Loa Loa (eye worm) hypothetical protein 0.0054 0.0438 0.1174
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0185 0.0304
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0116 0.129 0.2126
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0347 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0665 0.2385
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.032 0.0867
Echinococcus granulosus 6 phosphofructokinase 0.0108 0.1189 0.1959
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0174 0.209 1
Echinococcus granulosus neuropeptide receptor A26 0.0461 0.6069 1
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0174 0.209 1
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0174 0.209 1
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0347 0.0572
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0347 0.0941
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0174 0.209 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0066 0.06 0.2532
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.032 0.0543
Echinococcus multilocularis neuropeptide s receptor 0.0461 0.6069 1
Brugia malayi 6-phosphofructokinase 0.0108 0.1189 0.5618
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0174 0.209 0.3444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.032 0.1397
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0116 0.129 0.5992
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0108 0.1189 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.032 0.0527
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0116 0.129 0.5992
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.032 0.0527
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1189 0.5483
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0174 0.209 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0347 0.0941
Brugia malayi 6-phosphofructokinase 0.0108 0.1189 0.5618
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.032 0.0527
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0347 0.0572
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0347 0.0572
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0108 0.1189 0.5483
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.1189 0.5483
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0513 0.0845
Loa Loa (eye worm) hypothetical protein 0.0043 0.0277 0.0315
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.032 0.0527
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0116 0.129 0.6112
Loa Loa (eye worm) phosphofructokinase 0.0108 0.1189 0.5184
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0745 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1189 0.5483
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0438 0.0722
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0347 0.0572
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.032 0.0867

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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