Detailed information for compound 1324226

Basic information

Technical information
  • TDR Targets ID: 1324226
  • Name: N-(furan-2-ylmethylcarbamoyl)-2-(4-phenyl-3,6 -dihydro-2H-pyridin-1-yl)acetamide
  • MW: 339.388 | Formula: C19H21N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=O)NCc1ccco1)CN1CCC(=CC1)c1ccccc1
  • InChi: 1S/C19H21N3O3/c23-18(21-19(24)20-13-17-7-4-12-25-17)14-22-10-8-16(9-11-22)15-5-2-1-3-6-15/h1-8,12H,9-11,13-14H2,(H2,20,21,23,24)
  • InChiKey: BDDADJMZFGOGRZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
  • N-[(2-furylmethylamino)-oxomethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
  • N-(furan-2-ylmethylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamide
  • MLS000053432
  • SMR000063855

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Onchocerca volvulus 0.0281 0.1744 0.966
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0021 0.0027
Schistosoma mansoni tyrosine kinase 0.0257 0.1588 0.2034
Echinococcus granulosus roundabout 2 0.0029 0.006 0.0052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0222 0.026
Echinococcus multilocularis insulin receptor 0.0381 0.2415 0.3076
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1514 1 1
Leishmania major hypothetical protein, conserved 0.0029 0.0062 0.0729
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0062 0.0729
Loa Loa (eye worm) TK/FAK protein kinase 0.026 0.1608 0.2038
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0381 0.2415 0.3076
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0021 0.0027
Echinococcus multilocularis roundabout 2 0.0029 0.006 0.0052
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0579 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0222 0.026
Schistosoma mansoni hypothetical protein 0.004 0.0131 0.0168
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0021 0.0002
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.012 0.1764
Brugia malayi MH2 domain containing protein 0.0278 0.1729 0.2193
Brugia malayi amine oxidase, flavin-containing family protein 0.0107 0.0579 0.0716
Mycobacterium ulcerans lipoprotein LpqF 0.0074 0.0363 0.0342
Brugia malayi Immunoglobulin I-set domain containing protein 0.0306 0.1916 0.2434
Schistosoma mansoni DNA polymerase eta 0.0054 0.0227 0.0291
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0021 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.0021 0.5
Schistosoma mansoni nephrin 0.0023 0.002 0.0025
Echinococcus multilocularis 0.0107 0.0579 0.0718
Brugia malayi hypothetical protein 0.0107 0.0579 0.0716
Echinococcus granulosus lysine specific histone demethylase 1A 0.0107 0.0579 0.0718
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0131 0.0141
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.012 0.1116
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0107 0.0579 0.0559
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0107 0.0579 1
Leishmania major UDP-galactopyranose mutase 0.0107 0.0579 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0009
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0107 0.0579 0.0718
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0021 0.0002
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0052
Schistosoma mansoni cell adhesion molecule 0.0024 0.0029 0.0037
Onchocerca volvulus Tyrosine kinase homolog 0.0287 0.1785 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0222 0.0285
Brugia malayi Protein kinase domain containing protein 0.0381 0.2415 0.3075
Echinococcus multilocularis epidermal growth factor receptor 0.1186 0.7806 1
Onchocerca volvulus 0.0273 0.169 0.9216
Loa Loa (eye worm) transcription factor SMAD2 0.0278 0.1729 0.2193
Loa Loa (eye worm) hypothetical protein 0.0029 0.006 0.0049
Echinococcus granulosus geminin 0.0197 0.1188 0.15
Schistosoma mansoni tyrosine kinase 0.0638 0.414 0.5304
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0107 0.0579 0.0742
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0222 0.0258
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0227 0.6039
Mycobacterium ulcerans monoamine oxidase 0.0107 0.0579 0.0559
Schistosoma mansoni amine oxidase 0.0107 0.0579 0.0742
Loa Loa (eye worm) TK/EGFR protein kinase 0.1186 0.7806 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0021 0.0002
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0107 0.0579 1
Echinococcus granulosus protein tyrosine kinase 0.0257 0.1588 0.2014
Schistosoma mansoni tyrosine kinase 0.0629 0.4077 0.5223
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0638 0.414 0.5292
Echinococcus granulosus lysine specific histone demethylase 1A 0.0107 0.0579 0.0718
Mycobacterium tuberculosis Conserved hypothetical protein 0.0107 0.0579 0.0602
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0074 0.0363 0.0368
Echinococcus granulosus epidermal growth factor receptor 0.1186 0.7806 1
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0579 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0381 0.2415 0.3076
Loa Loa (eye worm) TK/INSR protein kinase 0.0381 0.2415 0.3075
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0306 0.1916 0.2434
Schistosoma mansoni tyrosine kinase 0.0638 0.414 0.5304
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0222 0.0258
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0107 0.0579 1
Brugia malayi Pax transcription factor protein 2 0.0281 0.1744 0.2212
Echinococcus multilocularis dna polymerase eta 0.0054 0.0227 0.0267
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0254 0.0299
Loa Loa (eye worm) hypothetical protein 0.004 0.0131 0.0141
Leishmania major DNA polymerase eta, putative 0.0038 0.012 0.1764
Trypanosoma brucei beta lactamase 0.0074 0.0363 1
Mycobacterium ulcerans dehydrogenase 0.0107 0.0579 0.0559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0222 0.0285
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0062 0.0729
Trypanosoma cruzi UDP-galactopyranose mutase 0.0107 0.0579 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0222 0.0285
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0021 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0222 0.026
Trypanosoma cruzi UDP-galactopyranose mutase 0.0107 0.0579 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0107 0.0579 0.0718
Loa Loa (eye worm) hypothetical protein 0.0107 0.0579 0.0716
Mycobacterium tuberculosis Possible oxidoreductase 0.0107 0.0579 0.0602
Echinococcus multilocularis protein tyrosine kinase 0.0257 0.1588 0.2014
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0024 0.0029 0.0011
Loa Loa (eye worm) MH2 domain-containing protein 0.0278 0.1729 0.2193
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0227 0.3694
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0254 0.0299
Echinococcus granulosus epidermal growth factor receptor 0.0638 0.414 0.5292
Brugia malayi Furin-like cysteine rich region family protein 0.1186 0.7806 1
Schistosoma mansoni hypothetical protein 0.0197 0.1188 0.1522
Brugia malayi SWIRM domain containing protein 0.0107 0.0579 0.0716
Schistosoma mansoni hypothetical protein 0.0197 0.1188 0.1522
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0227 0.0265
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0107 0.0579 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0107 0.0579 1
Echinococcus multilocularis geminin 0.0197 0.1188 0.15
Toxoplasma gondii histone lysine-specific demethylase 0.0107 0.0579 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0227 0.0265
Loa Loa (eye worm) hypothetical protein 0.0029 0.006 0.0049
Loa Loa (eye worm) pax transcription factor protein 2 0.0281 0.1744 0.2212
Leishmania major DNA polymerase eta, putative 0.0054 0.0227 0.3694
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.116 0.7631 0.8213
Mycobacterium ulcerans oxidoreductase 0.0107 0.0579 0.0559
Loa Loa (eye worm) hypothetical protein 0.0107 0.0579 0.0716
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0155 0.0901 0.0949
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0062 0.1192
Schistosoma mansoni tyrosine kinase 0.0381 0.2415 0.3094
Echinococcus multilocularis 0.0366 0.2318 0.2951
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0107 0.0579 0.0742
Brugia malayi Protein kinase domain containing protein 0.026 0.1608 0.2038
Chlamydia trachomatis protoporphyrinogen oxidase 0.0107 0.0579 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0107 0.0579 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.116 0.7631 0.7626
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0222 0.026
Schistosoma mansoni tyrosine kinase 0.0381 0.2415 0.3094
Brugia malayi hypothetical protein 0.0029 0.0062 0.0052
Plasmodium falciparum protoporphyrinogen oxidase 0.0107 0.0579 1
Echinococcus multilocularis epidermal growth factor receptor 0.0638 0.414 0.5292
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.0579 0.0716
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1407 0.9286 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0254 0.0299
Loa Loa (eye worm) hypothetical protein 0.0107 0.0579 0.0716
Loa Loa (eye worm) hypothetical protein 0.0107 0.0579 0.0716
Echinococcus granulosus insulin receptor 0.0381 0.2415 0.3076
Schistosoma mansoni tyrosine kinase 0.1186 0.7806 1
Schistosoma mansoni tyrosine kinase 0.0629 0.4077 0.5223
Schistosoma mansoni amine oxidase 0.0107 0.0579 0.0742
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0254 0.0299
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0155 0.0901 0.0882
Loa Loa (eye worm) hypothetical protein 0.0107 0.0579 0.0716
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0021 0.5
Echinococcus granulosus dna polymerase eta 0.0054 0.0227 0.0267
Schistosoma mansoni tyrosine kinase 0.0629 0.4077 0.5223

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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