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

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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