Detailed information for compound 1298379

Basic information

Technical information
  • TDR Targets ID: 1298379
  • Name: N-[1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamin o)prop-1-en-2-yl]benzamide
  • MW: 351.356 | Formula: C19H17N3O4
  • H donors: 2 H acceptors: 4 LogP: 3.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1
  • InChi: 1S/C19H17N3O4/c1-2-11-20-19(24)17(21-18(23)15-8-4-3-5-9-15)13-14-7-6-10-16(12-14)22(25)26/h2-10,12-13H,1,11H2,(H,20,24)(H,21,23)/b17-13+
  • InChiKey: VPFGPICGSKBJHU-GHRIWEEISA-N  

Network

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Synonyms

  • N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
  • N-[1-(allylcarbamoyl)-2-(3-nitrophenyl)vinyl]benzamide
  • N-[(E)-1-(allylcarbamoyl)-2-(3-nitrophenyl)vinyl]benzamide
  • N-[1-[(allylamino)-oxomethyl]-2-(3-nitrophenyl)vinyl]benzamide
  • N-[(E)-1-[(allylamino)-oxomethyl]-2-(3-nitrophenyl)vinyl]benzamide
  • ZINC05480591
  • MLS000702632
  • N-(1-[(allylamino)carbonyl]-2-{3-nitrophenyl}vinyl)benzamide
  • SMR000225850

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0123 0.348 0.348
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Schistosoma mansoni nuclear hormone receptor 0.011 0.2997 0.2997
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.011 0.2997 0.2997
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0233 0.751 0.751
Brugia malayi steroid hormone receptor 0.0233 0.751 0.9964
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0271 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0233 0.751 0.9964
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0233 0.751 0.751
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0715 0.0948
Brugia malayi nuclear receptor NHR-88 0.011 0.2997 0.3976
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.011 0.2997 0.3765
Loa Loa (eye worm) hypothetical protein 0.018 0.5577 0.5577
Schistosoma mansoni nuclear receptor 0.011 0.2997 0.2997
Brugia malayi tailless protein 0.011 0.2997 0.3976
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0474 0.063
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Brugia malayi ecdysteroid receptor 0.0233 0.751 0.9964
Loa Loa (eye worm) hypothetical protein 0.0123 0.348 0.348
Schistosoma mansoni survival motor neuron protein 0.0048 0.0715 0.0715
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0991 0.0991
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.011 0.2997 0.2997
Brugia malayi beta-lactamase family protein 0.0036 0.0271 0.036
Brugia malayi nuclear hormone receptor 0.0233 0.751 0.9964
Loa Loa (eye worm) hypothetical protein 0.0123 0.348 0.348
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0233 0.751 0.9964
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.011 0.2997 0.2997
Echinococcus granulosus nuclear receptor 2DBD gamma 0.011 0.2997 0.2997
Echinococcus granulosus Nuclear hormone receptor HR96 0.011 0.2997 0.2997
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0233 0.751 0.751
Brugia malayi hypothetical protein 0.011 0.2997 0.3976
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0271 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0271 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0123 0.348 0.348
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0233 0.751 0.751
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0233 0.751 0.9964
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0123 0.348 0.348
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.018 0.5577 0.5577
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0233 0.751 0.751
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0233 0.751 0.751
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0233 0.751 0.751
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.7537 0.7537
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.0123 0.348 0.348
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0233 0.751 0.751
Mycobacterium ulcerans beta-lactamase 0.0036 0.0271 0.5
Brugia malayi Nuclear hormone receptor E75 0.011 0.2997 0.3976
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.011 0.2997 0.2997
Schistosoma mansoni steroid hormone receptor ad4bp 0.0233 0.751 0.751
Brugia malayi Muscleblind-like protein 0.018 0.5577 0.7399
Echinococcus multilocularis Nuclear hormone receptor HR96 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0271
Brugia malayi Nuclear hormone receptor-like 1 0.0233 0.751 0.9964
Schistosoma mansoni RAR-like nuclear receptor 0.0233 0.751 0.751
Echinococcus granulosus ecdysone induced protein 78C 0.0233 0.751 0.751
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0233 0.751 0.9964
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0233 0.751 0.9964
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0271
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0233 0.751 0.751
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0233 0.751 0.751
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0991 0.0991
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0271
Echinococcus granulosus FTZ F1 alpha 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0271 0.0271
Echinococcus granulosus thyroid hormone receptor alpha 0.011 0.2997 0.2997
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0233 0.751 0.9964
Brugia malayi hypothetical protein 0.0123 0.348 0.4617
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0233 0.751 0.9964
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.011 0.2997 0.3976
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0233 0.751 0.751
Echinococcus granulosus nuclear receptor nhr 48 0.011 0.2997 0.2997
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0233 0.751 0.9964
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0271 0.5
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0271 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.011 0.2997 0.3976
Brugia malayi Nuclear hormone receptor-like 1 0.0123 0.348 0.4617
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.7304 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0991 0.0991
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0271 0.0271
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0233 0.751 0.751
Schistosoma mansoni nuclear hormone receptor 0.0233 0.751 0.751
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.7537 0.7537
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0233 0.751 0.751
Onchocerca volvulus Bile acid receptor homolog 0.0233 0.751 1
Toxoplasma gondii ABC1 family protein 0.0036 0.0271 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0123 0.348 0.348
Brugia malayi Nuclear hormone receptor E75 0.011 0.2997 0.3976
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0991 0.1314
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0233 0.751 0.9964
Echinococcus multilocularis snurportin 1 0.0301 1 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0271 1
Schistosoma mansoni nuclear receptor 0.011 0.2997 0.2997
Echinococcus multilocularis nuclear receptor nhr 48 0.011 0.2997 0.2997
Onchocerca volvulus 0.011 0.2997 0.3765
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0233 0.751 0.751
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0271 0.0271
Loa Loa (eye worm) nuclear hormone receptor 0.011 0.2997 0.2997
Brugia malayi nuclear hormone receptor 0.011 0.2997 0.3976
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0233 0.751 0.751
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0271 0.036
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 1 1
Loa Loa (eye worm) DR-78 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Loa Loa (eye worm) nuclear receptor nhr-7B 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Loa Loa (eye worm) steroid hormone receptor 0.0233 0.751 0.751
Brugia malayi nuclear hormone receptor family member nhr-6 0.011 0.2997 0.3976
Brugia malayi RNA, U transporter 1 0.008 0.1906 0.2528
Brugia malayi beta-lactamase family protein 0.0036 0.0271 0.036
Schistosoma mansoni thyroid hormone receptor 0.0233 0.751 0.751
Plasmodium falciparum importin beta, putative 0.0028 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0271 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0991 0.0991
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0271
Onchocerca volvulus 0.0233 0.751 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0233 0.751 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0233 0.751 0.9964
Schistosoma mansoni nuclear hormone receptor 0.011 0.2997 0.2997
Schistosoma mansoni zinc finger protein 0.011 0.2997 0.2997
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.0123 0.348 0.348
Brugia malayi beta-lactamase 0.0036 0.0271 0.036
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0271
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0233 0.751 0.751
Echinococcus multilocularis thyroid hormone receptor alpha 0.0233 0.751 0.751
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0123 0.348 0.348
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Schistosoma mansoni hypothetical protein 0.0048 0.0715 0.0715
Echinococcus multilocularis Nuclear hormone receptor HR96 0.011 0.2997 0.2997
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0991 0.0991
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0271 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0233 0.751 0.751
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0991 0.0991
Schistosoma mansoni hypothetical protein 0.0041 0.0474 0.0474
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0271 1
Schistosoma mansoni coup transcription factor 0.0233 0.751 0.751
Brugia malayi conserved hypotetical protein 0.011 0.2997 0.3976
Echinococcus multilocularis FTZ F1 alpha 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.0041 0.0474 0.0474
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0991 0.0991
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0233 0.751 0.9964
Onchocerca volvulus 0.0048 0.0715 0.0612
Brugia malayi nuclear receptor RXR 0.011 0.2997 0.3976
Schistosoma mansoni hypothetical protein 0.0301 1 1
Brugia malayi nuclear receptor RXR 0.0123 0.348 0.4617
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.011 0.2997 0.2997
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0233 0.751 0.9964
Echinococcus granulosus muscleblind protein 0.018 0.5577 0.5577
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.0234 0.7537 0.7537
Brugia malayi Steroid receptor seven-up type 2 0.0233 0.751 0.9964
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.011 0.2997 0.3765
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0233 0.751 0.751
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Mycobacterium ulcerans lipase LipD 0.0036 0.0271 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1172 0.1556
Onchocerca volvulus 0.011 0.2997 0.3765
Mycobacterium leprae Probable lipase LipE 0.0036 0.0271 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0233 0.751 0.751
Echinococcus granulosus Nuclear hormone receptor HR96 0.011 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Brugia malayi hypothetical protein 0.011 0.2997 0.3976
Brugia malayi nuclear receptor NHR-67 0.011 0.2997 0.3976
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Brugia malayi photoreceptor-specific nuclear receptor 0.0233 0.751 0.9964
Echinococcus multilocularis muscleblind protein 1 0.018 0.5577 0.5577
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0233 0.751 1
Echinococcus multilocularis muscleblind protein 0.018 0.5577 0.5577
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0991 0.0991
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0123 0.348 0.348
Loa Loa (eye worm) hypothetical protein 0.011 0.2997 0.2997
Brugia malayi hypothetical protein 0.0123 0.348 0.4617
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Brugia malayi nuclear hormone receptor family member odr-7 0.011 0.2997 0.3976
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1172 0.1556
Trichomonas vaginalis esterase, putative 0.0036 0.0271 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0271 0.5
Loa Loa (eye worm) nuclear receptor NHR-67 0.011 0.2997 0.2997
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1172 0.1172
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0233 0.751 0.751
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0271 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0233 0.751 0.751
Schistosoma mansoni thyroid hormone receptor 0.0233 0.751 0.751
Loa Loa (eye worm) hypothetical protein 0.006 0.1172 0.1172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0233 0.751 0.751
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0271 0.0271
Schistosoma mansoni retinoic acid receptor RXR 0.0233 0.751 0.751
Brugia malayi Nuclear hormone receptor-like 1 0.0123 0.348 0.4617
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0233 0.751 0.9964
Brugia malayi hypothetical protein 0.0234 0.7537 1
Schistosoma mansoni nuclear receptor nhr-48 0.011 0.2997 0.2997
Loa Loa (eye worm) beta-lactamase 0.0036 0.0271 0.0271
Brugia malayi nuclear receptor NHR-88 0.0233 0.751 0.9964
Mycobacterium ulcerans hypothetical protein 0.0036 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.751 0.751
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0233 0.751 0.751
Brugia malayi ecdysone receptor 0.011 0.2997 0.3976
Leishmania major hypothetical protein, conserved 0.0036 0.0271 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

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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