Detailed information for compound 1460345

Basic information

Technical information
  • TDR Targets ID: 1460345
  • Name: N-[4-chloro-2-(diethylcarbamoyl)phenyl]furan- 2-carboxamide
  • MW: 320.771 | Formula: C16H17ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1)CC
  • InChi: 1S/C16H17ClN2O3/c1-3-19(4-2)16(21)12-10-11(17)7-8-13(12)18-15(20)14-6-5-9-22-14/h5-10H,3-4H2,1-2H3,(H,18,20)
  • InChiKey: VQHDWMVSMRNPDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-chloro-2-(diethylamino-oxomethyl)phenyl]-2-furancarboxamide
  • N-[4-chloro-2-(diethylcarbamoyl)phenyl]-2-furamide
  • SMR000287943
  • BAS 06021982
  • Furan-2-carboxylic acid (4-chloro-2-diethylcarbamoyl-phenyl)-amide
  • ZINC00797159
  • MLS000708476

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
Plasmodium vivax vivapain-3 0.0123 0.2084 0.3138
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0231 0.6373 0.6511
Trypanosoma cruzi cysteine peptidase, putative 0.0231 0.6373 0.6467
Plasmodium falciparum cysteine proteinase falcipain 3 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0132 0.2447 0.0846
Loa Loa (eye worm) cathepsin B 0.0132 0.2447 0.2353
Trypanosoma cruzi cysteine proteinase, putative 0.0123 0.2084 0.2029
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Echinococcus granulosus integrin alpha 3 0.0121 0.1989 0.2032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Entamoeba histolytica cysteine proteinase, putative 0.0157 0.3449 0.3182
Echinococcus granulosus cysteine protease 0.0123 0.2084 0.2129
Onchocerca volvulus Cathepsin L homolog 0.0231 0.6373 1
Trypanosoma cruzi cysteine peptidase, putative 0.0231 0.6373 0.6467
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Plasmodium vivax vivapain-1 0.0123 0.2084 0.3138
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Schistosoma mansoni cathepsin F (C01 family) 0.0157 0.3449 0.3523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Brugia malayi Cathepsin L-like precursor 0.0231 0.6373 0.6328
Schistosoma mansoni cathepsin F (C01 family) 0.0231 0.6373 0.6511
Echinococcus multilocularis cathepsin b 0.0317 0.9788 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Echinococcus granulosus cathepsin b 0.0317 0.9788 1
Echinococcus multilocularis cathepsin b 0.0317 0.9788 1
Echinococcus multilocularis cysteine protease 0.0231 0.6373 0.6511
Schistosoma mansoni integrin beta subunit 0.019 0.4737 0.4839
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0123 0.2084 0.2129
Loa Loa (eye worm) hypothetical protein 0.0231 0.6373 0.6328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Entamoeba histolytica cysteine proteinase, putative 0.0231 0.6373 1
Loa Loa (eye worm) fibroinase 0.0231 0.6373 0.6328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0157 0.3449 0.3182
Giardia lamblia Cathepsin B precursor 0.0132 0.2447 0.5
Onchocerca volvulus 0.0231 0.6373 1
Brugia malayi Cathepsin L-like precursor 0.0231 0.6373 0.6328
Trypanosoma cruzi cysteine peptidase, putative 0.0231 0.6373 0.6467
Echinococcus granulosus cathepsin L cysteine proteinase 0.0231 0.6373 0.6511
Onchocerca volvulus 0.0231 0.6373 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.2105 0.2007
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0157 0.3449 0.3441
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Trypanosoma cruzi cruzipain precursor, putative 0.0231 0.6373 0.6467
Brugia malayi Papain family cysteine protease containing protein 0.0231 0.6373 0.6328
Loa Loa (eye worm) integrin alpha pat-2 0.0243 0.6833 0.6794
Loa Loa (eye worm) hypothetical protein 0.0157 0.3449 0.3367
Loa Loa (eye worm) integrin beta-2 0.0323 1 1
Echinococcus granulosus cathepsin L 0.0123 0.2084 0.2129
Schistosoma mansoni cathepsin F (C01 family) 0.0231 0.6373 0.6511
Entamoeba histolytica cysteine protease, putative 0.0231 0.6373 1
Echinococcus granulosus integrin beta 2 0.0239 0.6682 0.6826
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Onchocerca volvulus 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Giardia lamblia Cathepsin B precursor 0.0132 0.2447 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Plasmodium vivax unspecified product 0.0123 0.2084 0.3138
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0119 0.1926 0.1826
Echinococcus granulosus cathepsin l1 0.0157 0.3449 0.3523
Onchocerca volvulus Cathepsin L homolog 0.0231 0.6373 1
Echinococcus multilocularis cathepsin L 0.0123 0.2084 0.2129
Brugia malayi cathepsin L-like precursor 0.0157 0.3449 0.3367
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0231 0.6373 0.6328
Onchocerca volvulus 0.0231 0.6373 1
Onchocerca volvulus 0.0231 0.6373 1
Brugia malayi Cathepsin L-like precursor 0.0157 0.3449 0.3367
Loa Loa (eye worm) hypothetical protein 0.0087 0.0646 0.053
Brugia malayi Integrin alpha pat-2 precursor 0.0157 0.3448 0.3367
Trypanosoma cruzi cysteine peptidase, putative 0.0231 0.6373 0.6467
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Brugia malayi Cathepsin L-like precursor 0.0231 0.6373 0.6328
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0231 0.6373 1
Brugia malayi Papain family cysteine protease containing protein 0.0123 0.2084 0.1986
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Entamoeba histolytica cysteine proteinase, putative 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Toxoplasma gondii cathepsin CPL 0.0231 0.6373 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0231 0.6373 0.6328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Brugia malayi Papain family cysteine protease containing protein 0.0123 0.2084 0.1986
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Echinococcus granulosus cathepsin l1 0.0231 0.6373 0.6511
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Giardia lamblia Cathepsin B precursor 0.0132 0.2447 0.5
Brugia malayi Cathepsin L-like precursor 0.0157 0.3449 0.3367
Brugia malayi Cathepsin L-like precursor 0.0231 0.6373 0.6328
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0231 0.6373 1
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Trypanosoma cruzi cysteine peptidase, putative 0.0123 0.2084 0.2029
Brugia malayi Cathepsin L-like precursor 0.0231 0.6373 0.6328
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0231 0.6373 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.9788 0.9785
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Echinococcus granulosus cathepsin L cysteine protease 0.0123 0.2084 0.2129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Onchocerca volvulus 0.0231 0.6373 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0231 0.6373 0.6511
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0157 0.3449 0.3182
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Leishmania major cysteine peptidase A (CPA) 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Plasmodium vivax vivapain-2 0.0231 0.6373 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0231 0.6373 0.6511
Echinococcus multilocularis integrin alpha 3 0.0121 0.1989 0.2032
Echinococcus granulosus cathepsin b 0.0317 0.9788 1
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.3449 0.3367
Plasmodium vivax vivapain-2 0.0231 0.6373 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0231 0.6373 0.6511
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Leishmania major cathepsin L-like protease 0.0231 0.6373 1
Trypanosoma cruzi cysteine protease, putative 0.0123 0.2084 0.2029
Brugia malayi Cathepsin L-like precursor 0.0231 0.6373 0.6328
Loa Loa (eye worm) hypothetical protein 0.0157 0.3449 0.3367
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0231 0.6373 1
Loa Loa (eye worm) ctsf protein 0.0231 0.6373 0.6328
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0317 0.9788 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.1926 0.1826
Schistosoma mansoni integrin alpha 0.0157 0.3448 0.3523
Loa Loa (eye worm) cysteine protease 0.0231 0.6373 0.6328
Trypanosoma cruzi cysteine proteinase, putative 0.0123 0.2084 0.2029
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0317 0.9788 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0317 0.9788 1
Schistosoma mansoni cathepsin s 0.0074 0.0123 0.0125
Onchocerca volvulus Cathepsin F homolog 0.0231 0.6373 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0231 0.6373 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Echinococcus multilocularis cysteine protease 0.0231 0.6373 0.6511
Echinococcus multilocularis integrin beta 2 0.0239 0.6682 0.6826
Onchocerca volvulus 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0123 0.2084 0.2029
Brugia malayi cathepsin B-like cysteine proteinase 0.0317 0.9788 0.9785
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0231 0.6373 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0231 0.6373 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0123 0.2084 0.2129
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0132 0.2447 0.2404
Trypanosoma brucei cysteine peptidase C (CPC) 0.0132 0.2447 0.0846
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0132 0.2447 0.2499
Brugia malayi Cathepsin L-like cysteine proteinase 0.0157 0.3449 0.3367
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0317 0.9788 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0231 0.6373 0.6511
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0123 0.2084 0.2129
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0317 0.9788 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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