Detailed information for compound 1553542

Basic information

Technical information
  • TDR Targets ID: 1553542
  • Name: N-[3-[(4-tert-butylphenyl)amino]-3-oxopropyl] furan-2-carboxamide
  • MW: 314.379 | Formula: C18H22N2O3
  • H donors: 2 H acceptors: 2 LogP: 3.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(C)(C)C)CCNC(=O)c1ccco1
  • InChi: 1S/C18H22N2O3/c1-18(2,3)13-6-8-14(9-7-13)20-16(21)10-11-19-17(22)15-5-4-12-23-15/h4-9,12H,10-11H2,1-3H3,(H,19,22)(H,20,21)
  • InChiKey: FWNCUZPIOFGEPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[(4-tert-butylphenyl)amino]-3-oxo-propyl]furan-2-carboxamide
  • N-[3-[(4-tert-butylphenyl)amino]-3-oxopropyl]-2-furancarboxamide
  • N-[3-[(4-tert-butylphenyl)amino]-3-keto-propyl]-2-furamide
  • ZINC06786395
  • T5378166

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
Schistosoma mansoni hypothetical protein 0.0041 0.1756 0.1756
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0212 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0691 0.0691
Mycobacterium tuberculosis Possible oxygenase 0.0024 0.0937 0.5
Trypanosoma cruzi p450 reductase, putative 0.0212 1 1
Giardia lamblia Hypothetical protein 0.0188 0.8837 1
Leishmania major p450 reductase, putative 0.0212 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0212 1 1
Loa Loa (eye worm) SRC-1 0.0005 0.0032 0.0032
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0005 0.0032 0.0032
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0024 0.0937 0.0937
Schistosoma mansoni NADPH flavin oxidoreductase 0.0107 0.4926 0.4926
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0212 1 1
Treponema pallidum flavodoxin 0.0081 0.3686 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0005 0.0032 0.0032
Leishmania major cytochrome P450 reductase, putative 0.0188 0.8837 0.8717
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0081 0.3686 0.3033
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0005 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0041 0.1756 0.1756
Schistosoma mansoni tyrosine kinase 0.0005 0.0032 0.0032
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0212 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0212 1 1
Schistosoma mansoni tyrosine kinase 0.0005 0.0032 0.0032
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0212 1 1
Brugia malayi FAD binding domain containing protein 0.0212 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0005 0.0032 0.0032
Loa Loa (eye worm) FAD binding domain-containing protein 0.0212 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0212 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0691 0.0691
Schistosoma mansoni hypothetical protein 0.0019 0.0691 0.0691
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0081 0.3686 0.3033
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0024 0.0937 0.0937
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0212 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0005 0.0032 0.0032
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0081 0.3686 0.3033
Echinococcus granulosus tyrosine protein kinase Lyn 0.0005 0.0032 0.0032
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0024 0.0937 0.5
Loa Loa (eye worm) guanylate kinase 0.0006 0.0067 0.0067
Echinococcus granulosus cytochrome b5 reductase 4 0.0024 0.0937 0.0937
Schistosoma mansoni tyrosine kinase 0.0005 0.0032 0.0032
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0081 0.3686 0.3033
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0212 1 1
Loa Loa (eye worm) diaphorase 0.0024 0.0937 0.0937
Loa Loa (eye worm) flavodoxin family protein 0.0081 0.3686 0.3686
Echinococcus multilocularis methionine synthase reductase 0.0131 0.6088 0.6088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2673 0.2673
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0212 1 1
Schistosoma mansoni diflavin oxidoreductase 0.0105 0.4848 0.4848
Echinococcus multilocularis tyrosine protein kinase Abl 0.0005 0.0032 0.0032
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0024 0.0937 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0691 0.0691
Loa Loa (eye worm) FAD binding domain-containing protein 0.0131 0.6088 0.6088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2673 0.2673
Echinococcus granulosus tyrosine protein kinase Src64B 0.0005 0.0032 0.0032
Echinococcus granulosus GPCR family 2 0.0019 0.0691 0.0691
Echinococcus multilocularis c src tyrosine kinase 0.0005 0.0032 0.0032
Schistosoma mansoni tyrosine kinase 0.0005 0.0032 0.0032
Chlamydia trachomatis sulfite reductase 0.0131 0.6088 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0212 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0691 0.0691
Echinococcus multilocularis GPCR, family 2 0.0019 0.0691 0.0691
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0212 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0691 0.0691
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0005 0.0032 0.0032
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0005 0.0032 0.0032
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0131 0.6088 0.6088
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0081 0.3686 0.3033
Brugia malayi SRC-1 0.0005 0.0032 0.0032
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0188 0.8837 0.8159
Brugia malayi Tyrosine-protein kinase abl-1 0.0005 0.0032 0.0032
Schistosoma mansoni cytochrome B5 0.0024 0.0937 0.0937
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0005 0.0032 0.0032
Entamoeba histolytica type A flavoprotein, putative 0.0081 0.3686 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0081 0.3686 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0212 1 1
Plasmodium vivax hypothetical protein, conserved 0.0081 0.3686 0.3033
Echinococcus granulosus tyrosine protein kinase Fyn 0.0005 0.0032 0.0032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0691 0.0691
Schistosoma mansoni hypothetical protein 0.0019 0.0691 0.0691
Echinococcus granulosus cytochrome b5 reductase 4 0.0024 0.0937 0.0937
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0024 0.0937 0.0937
Onchocerca volvulus 0.0024 0.0937 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0005 0.0032 0.0032
Echinococcus multilocularis cytochrome b5 reductase 4 0.0024 0.0937 0.0937
Echinococcus granulosus tyrosine protein kinase Fyn 0.0005 0.0032 0.0032
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0005 0.0032 0.0032
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0024 0.0937 0.0937
Entamoeba histolytica type A flavoprotein, putative 0.0081 0.3686 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0005 0.0032 0.0032
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0212 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0188 0.8837 0.8717
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0024 0.0937 0.0937
Brugia malayi Peripheral plasma membrane protein CASK 0.0006 0.0067 0.0067
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0212 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0691 0.0691
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0005 0.0032 0.0032
Giardia lamblia Nitric oxide synthase, inducible 0.0188 0.8837 1
Entamoeba histolytica type A flavoprotein, putative 0.0081 0.3686 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0005 0.0032 0.0032
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0081 0.3686 0.3033
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Echinococcus granulosus c src tyrosine kinase 0.0005 0.0032 0.0032
Brugia malayi flavodoxin family protein 0.0081 0.3686 0.3686
Schistosoma mansoni hypothetical protein 0.0019 0.0691 0.0691
Loa Loa (eye worm) hypothetical protein 0.0019 0.0691 0.0691
Echinococcus granulosus tyrosine protein kinase Fyn 0.0005 0.0032 0.0032
Brugia malayi Guanylate kinase family protein 0.0006 0.0067 0.0067
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1756 0.1756
Entamoeba histolytica type A flavoprotein, putative 0.0081 0.3686 0.5
Leishmania major hypothetical protein, conserved 0.0081 0.3686 0.3033
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2673 0.2673
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0005 0.0032 0.0032
Brugia malayi diaphorase 0.0024 0.0937 0.0937
Toxoplasma gondii flavodoxin domain-containing protein 0.0105 0.4848 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2673 0.2673
Schistosoma mansoni cytochrome P450 reductase 0.0212 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0691 0.0691
Brugia malayi FAD binding domain containing protein 0.0131 0.6088 0.6088
Toxoplasma gondii flavodoxin domain-containing protein 0.0105 0.4848 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0005 0.0032 0.0032
Trichomonas vaginalis sulfite reductase, putative 0.0212 1 1
Mycobacterium tuberculosis Probable monooxygenase 0.0024 0.0937 0.5
Echinococcus granulosus methionine synthase reductase 0.0131 0.6088 0.6088
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0.0937 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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