Detailed information for compound 1351554

Basic information

Technical information
  • TDR Targets ID: 1351554
  • Name: 4-cyano-N-(furan-2-ylmethyl)-N-(5-methyl-1,3, 4-thiadiazol-2-yl)benzamide
  • MW: 324.357 | Formula: C16H12N4O2S
  • H donors: 0 H acceptors: 4 LogP: 2.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C(=O)N(c1nnc(s1)C)Cc1ccco1
  • InChi: 1S/C16H12N4O2S/c1-11-18-19-16(23-11)20(10-14-3-2-8-22-14)15(21)13-6-4-12(9-17)5-7-13/h2-8H,10H2,1H3
  • InChiKey: RHYMBXHNOFPDFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-cyano-N-(2-furylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
  • SMR000121031
  • 4-Cyano-N-furan-2-ylmethyl-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-benzamide
  • ASN 09114548
  • ZINC01349032
  • MLS000528456

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
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 0.035 0.0689 0.0059
Loa Loa (eye worm) hypothetical protein 0.2014 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.034 0.0634 0.0634
Echinococcus granulosus carboxylesterase 5A 0.2014 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.034 0.0634 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.034 0.0634 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.034 0.0634 0.0634
Echinococcus multilocularis para nitrobenzyl esterase 0.034 0.0634 0.0634
Echinococcus multilocularis neuroligin 0.034 0.0634 0.0634
Onchocerca volvulus 0.034 0.0634 0.5
Echinococcus multilocularis carboxylesterase 5A 0.2014 1 1
Loa Loa (eye worm) carboxylesterase 0.2014 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.034 0.0634 0.5
Echinococcus granulosus BC026374 protein S09 family 0.034 0.0634 0.0634
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.034 0.0634 0.5
Echinococcus multilocularis acetylcholinesterase 0.2014 1 1
Onchocerca volvulus 0.034 0.0634 0.5
Echinococcus multilocularis acetylcholinesterase 0.2014 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2014 1 1
Onchocerca volvulus 0.034 0.0634 0.5
Brugia malayi Carboxylesterase family protein 0.2014 1 1
Onchocerca volvulus 0.034 0.0634 0.5
Echinococcus granulosus acetylcholinesterase 0.2014 1 1
Echinococcus granulosus neuroligin 0.034 0.0634 0.0634
Echinococcus granulosus tumor protein p63 0.0408 0.1013 0.1013
Echinococcus granulosus para nitrobenzyl esterase 0.034 0.0634 0.0634
Trichomonas vaginalis spcc417.12 protein, putative 0.034 0.0634 0.5
Echinococcus granulosus acetylcholinesterase 0.2014 1 1
Echinococcus multilocularis tumor protein p63 0.0408 0.1013 0.1013
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.034 0.0634 0.0634
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.034 0.0634 0.5
Onchocerca volvulus 0.034 0.0634 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.2014 1 1
Loa Loa (eye worm) hypothetical protein 0.2014 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0891 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 25.1189 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

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.

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