Detailed information for compound 1362947

Basic information

Technical information
  • TDR Targets ID: 1362947
  • Name: N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-qu inolin-3-yl)methyl]pyrrolidine-1-carboxamide
  • MW: 365.426 | Formula: C21H23N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(Cc1cc2cccc(c2nc1O)C)Cc1ccco1)N1CCCC1
  • InChi: 1S/C21H23N3O3/c1-15-6-4-7-16-12-17(20(25)22-19(15)16)13-24(14-18-8-5-11-27-18)21(26)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13-14H2,1H3,(H,22,25)
  • InChiKey: GSGOLUZWFWJVFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
  • N-(2-furylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-pyrrolidinecarboxamide
  • N-(2-furylmethyl)-N-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
  • SMR000006093
  • ZINC01367049
  • ASN 06067869
  • MLS000074448
  • Pyrrolidine-1-carboxylic acid furan-2-ylmethyl-(8-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0102 0.3266 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0102 0.3266 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0024 0.0297 0.0297
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1046 1
Brugia malayi Cytochrome P450 family protein 0.0018 0.0068 0.0068
Brugia malayi Cathepsin L-like precursor 0.0024 0.0297 0.0297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Onchocerca volvulus 0.0024 0.0297 0.091
Brugia malayi Cathepsin L-like precursor 0.0024 0.0297 0.0297
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1046 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.04 0.04
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1046 0.3204
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1046 0.3204
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1046 0.0992
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1046 0.3204
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1046 0.0992
Brugia malayi Cathepsin L-like precursor 0.0024 0.0297 0.0297
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Schistosoma mansoni cathepsin F (C01 family) 0.0024 0.0297 0.091
Brugia malayi Cytochrome P450 family protein 0.0026 0.04 0.04
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Loa Loa (eye worm) fibroinase 0.0024 0.0297 0.0297
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1046 0.2523
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0024 0.0297 0.091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Echinococcus granulosus cathepsin l cysteine peptidase 0.0024 0.0297 0.091
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1046 0.3059
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1046 0.0992
Onchocerca volvulus 0.0024 0.0297 0.091
Echinococcus granulosus cathepsin l1 0.0024 0.0297 0.091
Schistosoma mansoni cathepsin F (C01 family) 0.0024 0.0297 0.091
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1046 0.3204
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1046 0.3204
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Onchocerca volvulus 0.0024 0.0297 0.091
Onchocerca volvulus 0.0043 0.1046 0.3204
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.3266 1
Trypanosoma cruzi cysteine peptidase, putative 0.0024 0.0297 0.091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Mycobacterium tuberculosis Conserved protein 0.0043 0.1046 0.0992
Onchocerca volvulus 0.0024 0.0297 0.091
Onchocerca volvulus 0.0024 0.0297 0.091
Brugia malayi beta-lactamase family protein 0.0043 0.1046 0.1046
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Echinococcus multilocularis cathepsin L cysteine protease 0.0024 0.0297 0.0716
Leishmania major eukaryotic initiation factor 4a, putative 0.0102 0.3266 1
Loa Loa (eye worm) cysteine protease 0.0024 0.0297 0.0297
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0102 0.3266 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.3266 1
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0068 0.0209
Trypanosoma brucei cytochrome P450, putative 0.0026 0.04 0.1037
Loa Loa (eye worm) hypothetical protein 0.0043 0.1046 0.1046
Onchocerca volvulus 0.0024 0.0297 0.091
Brugia malayi Cathepsin L-like precursor 0.0024 0.0297 0.0297
Schistosoma mansoni cytochrome P450 0.0018 0.0068 0.0209
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1046 0.0992
Trichomonas vaginalis esterase, putative 0.0043 0.1046 0.3204
Loa Loa (eye worm) cytochrome P450 0.0018 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0018 0.0068 0.0209
Entamoeba histolytica cysteine proteinase, putative 0.0024 0.0297 0.091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0024 0.0297 0.0716
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0102 0.3266 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0024 0.0297 0.091
Onchocerca volvulus 0.0024 0.0297 0.091
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Brugia malayi Cathepsin L-like precursor 0.0024 0.0297 0.0297
Onchocerca volvulus Cathepsin L homolog 0.0024 0.0297 0.091
Toxoplasma gondii ABC1 family protein 0.0043 0.1046 0.3059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Loa Loa (eye worm) CYP4Cod1 0.0026 0.04 0.04
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.1513 0.1513
Brugia malayi Cathepsin L-like precursor 0.0024 0.0297 0.0297
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1046 0.1046
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.04 0.339
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.04 0.1224
Onchocerca volvulus Cathepsin L homolog 0.0024 0.0297 0.091
Brugia malayi Papain family cysteine protease containing protein 0.0024 0.0297 0.0297
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.3266 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0068 0.0209
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1046 0.3204
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0024 0.0297 0.0297
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0102 0.3266 1
Mycobacterium ulcerans lipase LipD 0.0043 0.1046 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Leishmania major cysteine peptidase A (CPA) 0.0024 0.0297 0.0716
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.0068 0.0209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0024 0.0297 0.0716
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Loa Loa (eye worm) ctsf protein 0.0024 0.0297 0.0297
Brugia malayi eukaryotic initiation factor 4A 0.0102 0.3266 0.3266
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.04 0.04
Onchocerca volvulus 0.0043 0.1046 0.3204
Entamoeba histolytica cysteine proteinase, putative 0.0024 0.0297 0.091
Brugia malayi Cytochrome P450 family protein 0.0056 0.1513 0.1513
Leishmania major eukaryotic initiation factor 4a, putative 0.0102 0.3266 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0102 0.3266 1
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1046 0.3204
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1046 0.3059
Echinococcus granulosus eukaryotic initiation factor 4A 0.0102 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0297 0.0297
Onchocerca volvulus 0.0043 0.1046 0.3204
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1046 0.3204
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.04 0.04
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Loa Loa (eye worm) hypothetical protein 0.0043 0.1046 0.1046
Mycobacterium ulcerans hypothetical protein 0.0043 0.1046 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0102 0.3266 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0102 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1046 0.1046
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0102 0.3266 1
Trypanosoma cruzi cysteine peptidase, putative 0.0024 0.0297 0.091
Loa Loa (eye worm) hypothetical protein 0.0043 0.1046 0.1046
Loa Loa (eye worm) hypothetical protein 0.0102 0.3266 0.3266
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9927 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Treponema pallidum ATP-dependent RNA helicase 0.0102 0.3266 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Echinococcus multilocularis cathepsin L cysteine protease 0.0024 0.0297 0.0716
Entamoeba histolytica cysteine protease, putative 0.0024 0.0297 0.091
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0102 0.3266 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Mycobacterium tuberculosis Conserved protein 0.0043 0.1046 0.0992
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.04 0.1224
Echinococcus granulosus cathepsin L cysteine proteinase 0.0024 0.0297 0.091
Echinococcus multilocularis cysteine protease 0.0024 0.0297 0.0716
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Mycobacterium leprae Probable lipase LipE 0.0043 0.1046 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Leishmania major cytochrome p450-like protein 0.0026 0.04 0.1037
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0068 0.0209
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1046 0.3204
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0024 0.0297 0.0716
Mycobacterium ulcerans beta-lactamase 0.0043 0.1046 1
Brugia malayi beta-lactamase 0.0043 0.1046 0.1046
Leishmania major cathepsin L-like protease 0.0024 0.0297 0.0716
Brugia malayi beta-lactamase family protein 0.0043 0.1046 0.1046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.0297 0.091
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1046 0.0992
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0102 0.3266 0.3244
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0102 0.3266 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1046 0.0992
Leishmania major hypothetical protein, conserved 0.0043 0.1046 0.3059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024 0.0297 0.091
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1046 0.1046
Plasmodium vivax RNA helicase-1, putative 0.0102 0.3266 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0102 0.3266 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1046 1
Toxoplasma gondii cathepsin CPL 0.0024 0.0297 0.0716
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1046 0.3204
Mycobacterium tuberculosis Conserved protein 0.0043 0.1046 0.0992
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0102 0.3266 1
Trypanosoma cruzi cruzipain precursor, putative 0.0024 0.0297 0.091
Onchocerca volvulus Cathepsin F homolog 0.0024 0.0297 0.091
Trypanosoma cruzi cysteine peptidase, putative 0.0024 0.0297 0.091
Brugia malayi cytochrome P450 0.0018 0.0068 0.0068
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0024 0.0297 0.091
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1046 0.0992
Echinococcus multilocularis cysteine protease 0.0024 0.0297 0.0716
Loa Loa (eye worm) beta-lactamase 0.0043 0.1046 0.1046
Loa Loa (eye worm) hypothetical protein 0.0043 0.1046 0.1046
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1046 0.1046

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 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
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (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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