Detailed information for compound 1420923

Basic information

Technical information
  • TDR Targets ID: 1420923
  • Name: 2-[(5-furan-2-yl-1,3,4-oxadiazol-2-yl)sulfany l]-N-(2-oxo-2-phenylethyl)acetamide
  • MW: 343.357 | Formula: C16H13N3O4S
  • H donors: 1 H acceptors: 4 LogP: 2.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nnc(o1)c1ccco1)NCC(=O)c1ccccc1
  • InChi: 1S/C16H13N3O4S/c20-12(11-5-2-1-3-6-11)9-17-14(21)10-24-16-19-18-15(23-16)13-7-4-8-22-13/h1-8H,9-10H2,(H,17,21)
  • InChiKey: HLOKZYRVBWPFPO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxo-2-phenyl-ethyl)acetamide
  • 2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-oxo-2-phenylethyl)acetamide
  • 2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-keto-2-phenyl-ethyl)acetamide
  • 2-[(5-furan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxo-2-phenyl-ethyl)ethanamide
  • ZINC00128756
  • 2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio}-N-(2-oxo-2-phenylethyl)acetamide (non-preferred name)
  • MLS000051899
  • SMR000081039
  • Acetamide, 2-[5-(2-furyl)-1,3,4-oxathiazol-2-ylthio)-N-(2-oxo-2-phenylethyl)-
  • EU-0085988
  • A2465/0104638

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) hypothetical protein 0.0247 0.079 0.0786
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0989 0.3546 0.3543
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0118 0.0308 0.074
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0005 0.0012
Echinococcus granulosus mothers against decapentaplegic 5 0.0186 0.0561 0.137
Schistosoma mansoni hypothetical protein 0.0313 0.1034 0.2516
Echinococcus granulosus tar DNA binding protein 0.1137 0.4095 1
Brugia malayi Latrophilin receptor protein 2 0.0313 0.1034 0.1029
Loa Loa (eye worm) beta-lactamase 0.0043 0.0033 0.0028
Toxoplasma gondii ABC1 family protein 0.0043 0.0033 0.0352
Brugia malayi RNA recognition motif domain containing protein 0.1137 0.4095 0.4092
Entamoeba histolytica hypothetical protein 0.0197 0.0602 0.142
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0313 0.1034 0.1029
Onchocerca volvulus Huntingtin homolog 0.0148 0.0421 0.4476
Brugia malayi hypothetical protein 0.0115 0.0298 0.0293
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0033 0.0028
Schistosoma mansoni Smad4 0.0083 0.0179 0.0427
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0247 0.079 0.193
Brugia malayi Pre-SET motif family protein 0.0251 0.0805 0.08
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0197 0.0602 0.142
Brugia malayi beta-lactamase 0.0043 0.0033 0.0028
Loa Loa (eye worm) MH1 domain-containing protein 0.0083 0.0179 0.0175
Echinococcus granulosus TGF beta signal transducer SmadC 0.0186 0.0561 0.137
Brugia malayi isocitrate dehydrogenase 0.0118 0.0308 0.0303
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0186 0.0561 0.136
Brugia malayi Smad1 0.0186 0.0561 0.0556
Echinococcus multilocularis isocitrate dehydrogenase 0.0118 0.0308 0.074
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0313 0.1034 0.2525
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0033 0.0067
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0188 0.1682
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0989 0.3546 0.3543
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0118 0.0308 0.074
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 0.5
Schistosoma mansoni tar DNA-binding protein 0.1137 0.4095 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0028
Brugia malayi latrophilin 2 splice variant baaae 0.0676 0.2383 0.238
Leishmania major hypothetical protein, conserved 0.0052 0.0066 0.121
Brugia malayi hypothetical protein 0.0148 0.0421 0.0416
Schistosoma mansoni smad 0.0083 0.0179 0.0427
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0691 0.244 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0162 0.0473 0.5065
Loa Loa (eye worm) MH1 domain-containing protein 0.0186 0.0561 0.0556
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0118 0.0308 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0162 0.0473 0.5065
Onchocerca volvulus 0.0043 0.0033 0.0297
Loa Loa (eye worm) RNA binding protein 0.1137 0.4095 0.4092
Echinococcus multilocularis smad 0.0186 0.0561 0.136
Echinococcus granulosus Smad4 0.0186 0.0561 0.137
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0033 0.0028
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0033 0.0067
Schistosoma mansoni tar DNA-binding protein 0.1137 0.4095 1
Brugia malayi RNA binding protein 0.1137 0.4095 0.4092
Schistosoma mansoni hypothetical protein 0.0676 0.2383 0.5816
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0313 0.1034 0.2525
Brugia malayi beta-lactamase family protein 0.0043 0.0033 0.0028
Schistosoma mansoni tar DNA-binding protein 0.1137 0.4095 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0989 0.3546 0.3543
Brugia malayi MH1 domain containing protein 0.0103 0.0253 0.0248
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0247 0.079 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0083 0.0179 0.0427
Echinococcus multilocularis mothers against decapentaplegic 5 0.0186 0.0561 0.136
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0085 0.0188 0.2047
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 1
Loa Loa (eye worm) hypothetical protein 0.0989 0.3546 0.3543
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.0421 0.0416
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0903 1
Toxoplasma gondii isocitrate dehydrogenase 0.0118 0.0308 0.3855
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0115 0.0298 0.0727
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0028
Schistosoma mansoni hypothetical protein 0.0115 0.0298 0.0716
Schistosoma mansoni tar DNA-binding protein 0.1137 0.4095 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0118 0.0308 0.074
Echinococcus granulosus mothers against decapentaplegic 2 0.0083 0.0179 0.0438
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0186 0.0561 0.136
Loa Loa (eye worm) isocitrate dehydrogenase 0.0118 0.0308 0.0303
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0247 0.079 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0028
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0313 0.1034 0.2516
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0066 0.121
Loa Loa (eye worm) hypothetical protein 0.0103 0.0253 0.0248
Loa Loa (eye worm) MH2 domain-containing protein 0.2726 1 1
Schistosoma mansoni tar DNA-binding protein 0.1137 0.4095 1
Toxoplasma gondii isocitrate dehydrogenase 0.0118 0.0308 0.3855
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0028
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0313 0.1034 0.2516
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0066 0.121
Loa Loa (eye worm) hypothetical protein 0.0676 0.2383 0.238
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0083 0.0179 0.1879
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0247 0.079 0.192
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0066 0.0776
Brugia malayi MH1 domain containing protein 0.0186 0.0561 0.0556
Echinococcus multilocularis Smad4 0.0186 0.0561 0.136
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0033 0.0079
Toxoplasma gondii hypothetical protein 0.0085 0.0188 0.2327
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0033 0.0067
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0118 0.0308 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0115 0.0298 0.0716
Brugia malayi MH2 domain containing protein 0.0186 0.0561 0.0556
Echinococcus granulosus GPCR family 2 0.0313 0.1034 0.2525
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1137 0.4095 0.4092
Loa Loa (eye worm) transcription factor SMAD2 0.2726 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0934 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0162 0.0473 0.1146
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0118 0.0308 0.3855
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0118 0.0308 0.074
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0118 0.0308 1
Echinococcus granulosus peptidase Clp S14 family 0.0162 0.0473 0.1156
Schistosoma mansoni transcription factor LCR-F1 0.0115 0.0298 0.0716
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0028
Echinococcus granulosus mothers against decapentaplegic 6 0.0083 0.0179 0.0438
Loa Loa (eye worm) hypothetical protein 0.0313 0.1034 0.1029
Loa Loa (eye worm) Smad1 0.0186 0.0561 0.0556
Loa Loa (eye worm) TAR-binding protein 0.1137 0.4095 0.4092
Loa Loa (eye worm) hypothetical protein 0.0148 0.0421 0.0416
Echinococcus multilocularis GPCR, family 2 0.0313 0.1034 0.2516
Onchocerca volvulus 0.0043 0.0033 0.0297
Brugia malayi MH1 domain containing protein 0.0186 0.0561 0.0556
Brugia malayi MH2 domain containing protein 0.0083 0.0179 0.0175
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0162 0.0473 0.582
Schistosoma mansoni hypothetical protein 0.0313 0.1034 0.2516
Brugia malayi hypothetical protein 0.0052 0.0066 0.0061
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.0188 0.2327
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0066 0.121
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0247 0.079 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0118 0.0308 0.074
Schistosoma mansoni Smad4 0.0083 0.0179 0.0427
Giardia lamblia DNA repair protein RAD52 0.0691 0.244 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0118 0.0308 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0066 0.0061
Schistosoma mansoni hypothetical protein 0.0313 0.1034 0.2516
Onchocerca volvulus 0.0286 0.0934 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0421 0.4476
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0118 0.0308 0.316
Brugia malayi MH1 domain containing protein 0.0103 0.0253 0.0248
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0247 0.079 1
Onchocerca volvulus 0.0043 0.0033 0.0297
Echinococcus multilocularis tar DNA binding protein 0.1137 0.4095 1
Schistosoma mansoni Smad4 0.0186 0.0561 0.136
Schistosoma mansoni peptidase Clp (S14 family) 0.0247 0.079 0.192
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0028
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0066 0.0776
Brugia malayi mothers against decapentaplegic homolog 3 0.0083 0.0179 0.0175
Loa Loa (eye worm) latrophilin receptor protein 2 0.0313 0.1034 0.1029
Schistosoma mansoni smad1 5 8 and 0.0186 0.0561 0.136
Brugia malayi beta-lactamase family protein 0.0043 0.0033 0.0028
Loa Loa (eye worm) hypothetical protein 0.0083 0.0179 0.0175
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0805 0.08
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0033 0.0352
Echinococcus multilocularis mothers against decapentaplegic 6 0.0083 0.0179 0.0427
Schistosoma mansoni hypothetical protein 0.0313 0.1034 0.2516
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0118 0.0308 0.0751
Schistosoma mansoni smad 0.0186 0.0561 0.136
Loa Loa (eye worm) MH2 domain-containing protein 0.0083 0.0179 0.0175
Loa Loa (eye worm) nuclear factor I 0.0103 0.0253 0.0248
Brugia malayi Probable ClpP-like protease 0.0247 0.079 0.0786
Schistosoma mansoni smad1 5 8 and 0.0186 0.0561 0.136
Brugia malayi MH2 domain containing protein 0.0186 0.0561 0.0556
Brugia malayi Isocitrate dehydrogenase 0.0118 0.0308 0.0303
Schistosoma mansoni smad1 5 8 and 0.0186 0.0561 0.136
Echinococcus granulosus smad 0.0186 0.0561 0.137
Brugia malayi TAR-binding protein 0.1137 0.4095 0.4092
Loa Loa (eye worm) MH2 domain-containing protein 0.0186 0.0561 0.0556
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0118 0.0308 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0247 0.079 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0118 0.0308 0.3338

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1995 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) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 0.7079 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 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) = 44.6684 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) 100 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

Species name Source Reference Is orphan
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.