Detailed information for compound 1320765

Basic information

Technical information
  • TDR Targets ID: 1320765
  • Name: N-[[4-(thiadiazol-4-yl)phenyl]methyl]prop-2-e namide
  • MW: 245.3 | Formula: C12H11N3OS
  • H donors: 1 H acceptors: 3 LogP: 1.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC(=O)NCc1ccc(cc1)c1nnsc1
  • InChi: 1S/C12H11N3OS/c1-2-12(16)13-7-9-3-5-10(6-4-9)11-8-17-15-14-11/h2-6,8H,1,7H2,(H,13,16)
  • InChiKey: BAUVDQRPCWSSGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[4-(4-thiadiazolyl)phenyl]methyl]prop-2-enamide
  • N-[4-(thiadiazol-4-yl)benzyl]acrylamide
  • N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]prop-2-enamide
  • MLS000860090
  • N-[4-(1,2,3-thiadiazol-4-yl)benzyl]acrylamide
  • SMR000460869
  • ZINC00106572
  • Maybridge3_006096
  • IDI1_017483

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0194 0.1102 0.2609
Loa Loa (eye worm) MH1 domain-containing protein 0.0092 0.0319 0.0316
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0112 0.0472 1
Schistosoma mansoni hypothetical protein 0.0194 0.1102 0.2609
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0204 0.0561
Schistosoma mansoni tar DNA-binding protein 0.0525 0.3647 1
Schistosoma mansoni smad1 5 8 and 0.0092 0.0319 0.0333
Schistosoma mansoni tar DNA-binding protein 0.0525 0.3647 1
Schistosoma mansoni hypothetical protein 0.0194 0.1102 0.2609
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0613 0.4325 0.4323
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0204 0.5
Schistosoma mansoni smad1 5 8 and 0.0092 0.0319 0.0333
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0112 0.0472 1
Brugia malayi hypothetical protein 0.0152 0.0777 0.0775
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0204 0.0561
Brugia malayi Smad1 0.0092 0.0319 0.0316
Echinococcus multilocularis mothers against decapentaplegic 5 0.0092 0.0319 0.0874
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0194 0.1102 0.3023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0112 0.0472 0.1293
Loa Loa (eye worm) hypothetical protein 0.0613 0.4325 0.4323
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0194 0.1102 0.3023
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0194 0.1102 0.3023
Echinococcus granulosus Smad4 0.0092 0.0319 0.0874
Loa Loa (eye worm) MH2 domain-containing protein 0.135 1 1
Brugia malayi RNA binding protein 0.0525 0.3647 0.3645
Loa Loa (eye worm) hypothetical protein 0.0077 0.0204 0.0202
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.1102 0.11
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0112 0.0472 0.1293
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0204 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0204 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0112 0.0472 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0112 0.0472 0.5
Echinococcus multilocularis tar DNA binding protein 0.0525 0.3647 1
Toxoplasma gondii isocitrate dehydrogenase 0.0112 0.0472 1
Giardia lamblia DNA repair protein RAD52 0.0676 0.4815 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0194 0.1102 0.11
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0376 0.25 0.6857
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0092 0.0319 0.0874
Echinococcus granulosus TGF beta signal transducer SmadC 0.0092 0.0319 0.0874
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0092 0.0319 0.0333
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0194 0.1102 0.11
Brugia malayi isocitrate dehydrogenase 0.0112 0.0472 0.0469
Loa Loa (eye worm) hypothetical protein 0.0419 0.2833 0.2831
Loa Loa (eye worm) transcription factor SMAD2 0.135 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0112 0.0472 0.1293
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0613 0.4325 0.4323
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0112 0.0472 0.5
Brugia malayi MH2 domain containing protein 0.0092 0.0319 0.0316
Schistosoma mansoni smad1 5 8 and 0.0092 0.0319 0.0333
Brugia malayi MH1 domain containing protein 0.0092 0.0319 0.0316
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0112 0.0472 0.0776
Brugia malayi MH1 domain containing protein 0.0092 0.0319 0.0316
Loa Loa (eye worm) isocitrate dehydrogenase 0.0112 0.0472 0.0469
Echinococcus granulosus tar DNA binding protein 0.0525 0.3647 1
Echinococcus multilocularis Smad4 0.0092 0.0319 0.0874
Echinococcus multilocularis smad 0.0092 0.0319 0.0874
Onchocerca volvulus 0.0152 0.0777 0.5
Brugia malayi TAR-binding protein 0.0525 0.3647 0.3645
Schistosoma mansoni hypothetical protein 0.0194 0.1102 0.2609
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0194 0.1102 0.3023
Brugia malayi Latrophilin receptor protein 2 0.0194 0.1102 0.11
Schistosoma mansoni Smad4 0.0092 0.0319 0.0333
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0112 0.0472 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0112 0.0472 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0112 0.0472 0.1293
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0376 0.25 0.6857
Brugia malayi latrophilin 2 splice variant baaae 0.0419 0.2833 0.2831
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0676 0.4815 1
Loa Loa (eye worm) TAR-binding protein 0.0525 0.3647 0.3645
Schistosoma mansoni tar DNA-binding protein 0.0525 0.3647 1
Echinococcus granulosus smad 0.0092 0.0319 0.0874
Toxoplasma gondii isocitrate dehydrogenase 0.0112 0.0472 1
Brugia malayi RNA recognition motif domain containing protein 0.0525 0.3647 0.3645
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0112 0.0472 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.0777 0.0775
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0525 0.3647 0.3645
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0204 0.5
Brugia malayi Isocitrate dehydrogenase 0.0112 0.0472 0.0469
Echinococcus granulosus mothers against decapentaplegic 5 0.0092 0.0319 0.0874
Loa Loa (eye worm) RNA binding protein 0.0525 0.3647 0.3645
Loa Loa (eye worm) Smad1 0.0092 0.0319 0.0316
Echinococcus multilocularis GPCR, family 2 0.0194 0.1102 0.3023
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0204 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0112 0.0472 0.1293
Schistosoma mansoni hypothetical protein 0.0419 0.2833 0.7637
Schistosoma mansoni smad 0.0092 0.0319 0.0333
Schistosoma mansoni tar DNA-binding protein 0.0525 0.3647 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0204 0.5
Schistosoma mansoni tar DNA-binding protein 0.0525 0.3647 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0112 0.0472 0.1293
Echinococcus granulosus GPCR family 2 0.0194 0.1102 0.3023
Loa Loa (eye worm) MH2 domain-containing protein 0.0092 0.0319 0.0316
Brugia malayi Calcitonin receptor-like protein seb-1 0.0613 0.4325 0.4323
Brugia malayi MH2 domain containing protein 0.0092 0.0319 0.0316
Brugia malayi Probable ClpP-like protease 0.0077 0.0204 0.0202

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 100 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

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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