Detailed information for compound 338291

Basic information

Technical information
  • TDR Targets ID: 338291
  • Name: (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihyd ro-1H-quinolin-7-yl)prop-2-enamide
  • MW: 348.438 | Formula: C22H24N2O2
  • H donors: 2 H acceptors: 2 LogP: 4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)NC(=O)CC2)/C=C/c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C22H24N2O2/c1-22(2,3)17-9-4-15(5-10-17)6-12-20(25)23-18-11-7-16-8-13-21(26)24-19(16)14-18/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)(H,24,26)/b12-6+
  • InChiKey: GXCKOZLKUDPCKA-WUXMJOGZSA-N  

Network

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Synonyms

  • (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-propenamide
  • (E)-3-(4-tert-butylphenyl)-N-(2-keto-3,4-dihydro-1H-quinolin-7-yl)acrylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0559 0.3049 0.3049
Leishmania major carbonic anhydrase-like protein 0.1222 0.6919 0.8532
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1222 0.6919 0.6919
Echinococcus multilocularis carbonic anhydrase II 0.1222 0.6919 1
Onchocerca volvulus Putative sulfate transporter 0.0206 0.0983 1
Entamoeba histolytica carbonic anhydrase, putative 0.1426 0.811 1
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.002 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.1624 0.9265 1
Leishmania major carbonic anhydrase family protein, putative 0.1426 0.811 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0071 0.0196 1
Schistosoma mansoni carbonic anhydrase-related 0.0559 0.3049 0.3759
Echinococcus granulosus carbonic anhydrase 0.0559 0.3049 0.4406
Echinococcus multilocularis carbonic anhydrase 0.0559 0.3049 0.4406
Mycobacterium ulcerans carbonic anhydrase 0.1624 0.9265 1
Echinococcus multilocularis carbonic anhydrase 0.0559 0.3049 0.4406
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.018 0.0194
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0041 0.002 0.0024
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0559 0.3049 0.4406
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1426 0.811 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0559 0.3049 0.4406
Mycobacterium leprae Probable transmembrane transport protein 0.0237 0.1169 0.1247
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1222 0.6919 1
Loa Loa (eye worm) hypothetical protein 0.0559 0.3049 0.3049
Trypanosoma brucei carbonic anhydrase-like protein 0.1222 0.6919 1
Onchocerca volvulus 0.0206 0.0983 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0559 0.3049 0.4406
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1222 0.6919 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.1144 0.1144
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0071 0.0196 1
Schistosoma mansoni carbonic anhydrase 0.0559 0.3049 0.3759
Echinococcus granulosus dynactin 5 p25 0.0071 0.0196 0.0283
Mycobacterium ulcerans carbonic anhydrase 0.1426 0.811 0.8751
Echinococcus granulosus carbonic anhydrase 0.0559 0.3049 0.4406
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1222 0.6919 1
Entamoeba histolytica ankyrin, putative 0.0071 0.0196 0.0242
Toxoplasma gondii hypothetical protein 0.0559 0.3049 0.5
Mycobacterium ulcerans transferase 0.0068 0.018 0.0174
Leishmania major hypothetical protein, conserved 0.0041 0.002 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.002 0.0029
Loa Loa (eye worm) carbonic anhydrase 3 0.1222 0.6919 0.6919
Schistosoma mansoni carbonic anhydrase 0.1426 0.811 1
Schistosoma mansoni carbonic anhydrase-related 0.0559 0.3049 0.3759
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0559 0.3049 0.3049
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0882 0.4934 0.8969
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0979 0.5499 1
Entamoeba histolytica acetyltransferase, putative 0.0071 0.0196 0.0242
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0559 0.3049 0.4406
Trichomonas vaginalis conserved hypothetical protein 0.1624 0.9265 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0559 0.3049 0.4406
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0068 0.018 0.0194
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1222 0.6919 0.8532
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0237 0.1169 0.2097
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0781 0.4345 0.7893
Brugia malayi follicle stimulating hormone receptor 0.0233 0.1144 0.1653
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1222 0.6919 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0 0.5
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0071 0.0196 0.0322
Schistosoma mansoni carbonic anhydrase-related 0.0559 0.3049 0.3759
Echinococcus multilocularis carbonic anhydrase 0.0559 0.3049 0.4406
Plasmodium falciparum carbonic anhydrase 0.0559 0.3049 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.002 0.0029
Echinococcus granulosus carbonic anhydrase II 0.1222 0.6919 1
Schistosoma mansoni hypothetical protein 0.0559 0.3049 0.3759
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1222 0.6919 0.8532
Echinococcus granulosus carbonic anhydrase 0.0559 0.3049 0.4406

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.5 nM Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells ChEMBL. 15634002
IC50 (functional) = 2.5 nM Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells ChEMBL. 15634002
IC50 (functional) = 71 nM Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells ChEMBL. 15634002
IC50 (functional) = 71 nM Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells ChEMBL. 15634002

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

1 literature reference was collected for this gene.

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