Detailed information for compound 1312618

Basic information

Technical information
  • TDR Targets ID: 1312618
  • Name: N-[3-(5-furan-2-yl-1,3,4-oxadiazol-2-yl)pheny l]benzamide
  • MW: 331.325 | Formula: C19H13N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)Nc1cccc(c1)c1nnc(o1)c1ccco1
  • InChi: 1S/C19H13N3O3/c23-17(13-6-2-1-3-7-13)20-15-9-4-8-14(12-15)18-21-22-19(25-18)16-10-5-11-24-16/h1-12H,(H,20,23)
  • InChiKey: LHSALRZHOFPCFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
  • SMR000293912
  • ZINC05059835
  • STK255626
  • MLS000625128
  • N-{3-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Sus scrofa Calpain 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 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
Trypanosoma brucei gambiense protein kinase, putative,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
Cryptosporidium hominis MAPK 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
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania donovani mitogen-activated protein kinase 4 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
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma brucei protein kinase, putative 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 mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Candida albicans Serine/threonine protein kinase of MAP kinase family 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 Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative 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
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni serine/threonine protein kinase 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) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 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 granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi mitogen-activated protein kinase 11, 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
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative 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
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Candida albicans MAP kinase-like orf 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
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.1072 0.0737
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.016 0.1072 0.1072
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0124 0.06 0.0551
Trichomonas vaginalis PIKK family atypical protein kinase 0.0674 0.7747 0.7663
Echinococcus granulosus serine:threonine protein kinase SMG1 0.016 0.1072 0.1026
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Loa Loa (eye worm) hypothetical protein 0.0124 0.06 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.0458 0.4935 0.4745
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0848 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Loa Loa (eye worm) hypothetical protein 0.0182 0.136 0.136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.5503 0.5335
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.016 0.1072 0.1072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0457 0.4926 0.4735
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0284 0.2682 0.1803
Echinococcus granulosus serine protein kinase ATM 0.016 0.1072 0.1026
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0052 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.5569 0.5402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0457 0.4926 0.4735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0848 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0458 0.4935 0.4745
Trypanosoma cruzi target of rapamycin kinase 3 0.0675 0.7756 0.7672
Trichomonas vaginalis PIKK family atypical protein kinase 0.0674 0.7747 0.7663
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0352 0.3563 0.279
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0173 0.1233 0.1233
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0284 0.2682 0.2644
Giardia lamblia GTOR 0.0848 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.131 0.131
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0284 0.2682 0.1803
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0284 0.2682 0.2644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.5569 0.5402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.2682 0.2407
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.1072 0.0737
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0848 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0848 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.1944 0.1641
Loa Loa (eye worm) phosphatidylinositol 3 0.0848 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0674 0.7747 0.7663
Echinococcus multilocularis serine protein kinase ATM 0.016 0.1072 0.1026
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.2682 0.2682
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0848 1 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0284 0.2682 0.2682
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.1072 0.0737
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0284 0.2682 0.2407
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0284 0.2682 0.2407
Toxoplasma gondii target of rapamycin (TOR), putative 0.063 0.7179 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.5569 0.5402
Brugia malayi hypothetical protein 0.0182 0.136 0.136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.5503 0.5335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0457 0.4926 0.4735
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.055 0.6137 0.5992
Trichomonas vaginalis conserved hypothetical protein 0.0179 0.131 0.0984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.2682 0.2407
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0848 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.2682 0.2407
Schistosoma mansoni hypothetical protein 0.0124 0.06 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.2682 0.2407
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.016 0.1072 0.1072
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.016 0.1072 0.0737
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0848 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0848 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0675 0.7756 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0848 1 1
Onchocerca volvulus 0.0182 0.136 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0848 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0848 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0179 0.131 0.039
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.06 0.0247
Loa Loa (eye worm) phosphatidylinositol 3 0.0284 0.2682 0.2682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0724 0.839 0.833
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.016 0.1072 0.0737
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0401 0.4197 0.35
Trichomonas vaginalis PIKK family atypical protein kinase 0.0674 0.7747 0.7663
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0848 1 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0848 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Loa Loa (eye worm) hypothetical protein 0.016 0.1072 0.1072
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.016 0.1072 0.1026
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0458 0.4935 0.4745
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0848 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0675 0.7756 0.7487
Loa Loa (eye worm) hypothetical protein 0.0106 0.0362 0.0362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.2682 0.2407
Schistosoma mansoni fkbp-rapamycin associated protein 0.016 0.1072 0.1072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0569 0.6375 0.6239
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.7179 0.7073
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0124 0.06 0.0551
Trichomonas vaginalis PIKK family atypical protein kinase 0.0458 0.4935 0.4745
Brugia malayi FAT domain containing protein 0.0124 0.06 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.0674 0.7747 0.7663

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.369084871 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 50.1187 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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