Detailed information for compound 738793

Basic information

Technical information
  • TDR Targets ID: 738793
  • Name: N-(furan-2-ylmethyl)isochroman-1-carboxamide
  • MW: 257.284 | Formula: C15H15NO3
  • H donors: 1 H acceptors: 1 LogP: 1.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1OCCc2c1cccc2)NCc1ccco1
  • InChi: 1S/C15H15NO3/c17-15(16-10-12-5-3-8-18-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17)
  • InChiKey: OKDWZNYNVFPWHN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)isochroman-1-carboxamide
  • N-(2-furylmethyl)-1-isochromancarboxamide
  • MLS000100161
  • A3912/0166409
  • CBKinase1_022663
  • CBKinase1_010263
  • N-(2-furylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
  • SMR000079931

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
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
Toxoplasma gondii ImpB/MucB/SamB family protein 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
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi ImpB/MucB/SamB family protein 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
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum DinB/family X-type DNA polymerase 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
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi 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
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
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
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
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major 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
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.3849 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.3849 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Trypanosoma brucei unspecified product 0.0023 0.1004 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1004 0.1004
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.3293 0.3293
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1004 0.5
Echinococcus granulosus dna polymerase eta 0.0054 0.3293 0.8556
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.3849 1
Brugia malayi MAP kinase sur-1 0.0062 0.3849 0.3849
Schistosoma mansoni DNA polymerase eta 0.0054 0.3293 0.8556
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.3293 0.8047
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1591
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.3849 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Echinococcus multilocularis dna polymerase eta 0.0054 0.3293 0.8556
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.3293 0.8358
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3849 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3849 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1004 0.2607
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3849 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.3293 0.3293
Trypanosoma brucei protein kinase, putative 0.0062 0.3849 1
Leishmania major DNA polymerase eta, putative 0.0054 0.3293 0.8047
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.3849 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.3849 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3849 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1004 0.2607
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.3849 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1004 0.1004
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1004 0.2607
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3849 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3849 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.2097 0.3843
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.3849 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1004 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1004 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1004 0.2607
Leishmania major DNA polymerase eta, putative 0.0038 0.2097 0.3843
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.3849 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.3849 0.3849
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1004 0.2607
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1591
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1004 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.1004 0.2607
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3849 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.3849 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1591
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.3849 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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