Detailed information for compound 1308664

Basic information

Technical information
  • TDR Targets ID: 1308664
  • Name: 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
  • MW: 330.403 | Formula: C20H14N2OS
  • H donors: 1 H acceptors: 2 LogP: 4.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1
  • InChi: 1S/C20H14N2OS/c21-14-15-8-4-6-12-18(15)24-19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23)
  • InChiKey: IRDCYHWGZWHFDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-cyanophenyl)sulfanyl-N-phenyl-benzamide
  • 2-[(2-cyanophenyl)thio]-N-phenylbenzamide
  • 2-[(2-cyanophenyl)thio]-N-phenyl-benzamide
  • 2-[(2-cyanophenyl)sulfanyl]-N-phenylbenzenecarboxamide
  • MLS000326114
  • SMR000170249
  • ZINC01382439
  • Oprea1_392112
  • 2L-342S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GPCR family 2 0.0019 0.0401 0.1265
Loa Loa (eye worm) hypothetical protein 0.0015 0.0212 0.0212
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.1265
Schistosoma mansoni lamin 0.0033 0.1054 0.332
Loa Loa (eye worm) hypothetical protein 0.0032 0.1025 0.1025
Onchocerca volvulus 0.0033 0.1054 0.1054
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0401 0.0401
Brugia malayi RNA binding protein 0.0076 0.3173 0.3173
Onchocerca volvulus 0.0033 0.1054 0.1054
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3173 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2387 0.2387
Schistosoma mansoni lamin 0.0033 0.1054 0.332
Schistosoma mansoni hypothetical protein 0.0041 0.1468 0.4626
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0033 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0016 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0212 0.0212
Brugia malayi intermediate filament protein 0.0033 0.1054 0.1054
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3173 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3173 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0241 0.0758
Echinococcus granulosus lamin 0.0033 0.1054 0.332
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.1265
Loa Loa (eye worm) hypothetical protein 0.006 0.2387 0.2387
Loa Loa (eye worm) hypothetical protein 0.0019 0.0401 0.0401
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1468 0.1468
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.1265
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0401 0.1265
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2387 0.2387
Echinococcus multilocularis lamin 0.0033 0.1054 0.332
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3173 0.3173
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0241 0.0758
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.3173 0.3173
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0324 0.0324
Echinococcus multilocularis musashi 0.0033 0.1054 0.332
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0401 0.1265
Echinococcus multilocularis GPCR, family 2 0.0019 0.0401 0.1265
Echinococcus granulosus tar DNA binding protein 0.0076 0.3173 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3173 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3173 0.3173
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.1265
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0324 0.0324
Echinococcus granulosus intermediate filament protein 0.0033 0.1054 0.332
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0401 0.1265
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1054 0.1054
Brugia malayi TAR-binding protein 0.0076 0.3173 0.3173
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1054 0.1054
Schistosoma mansoni intermediate filament proteins 0.0033 0.1054 0.332
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0401 0.0401
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3173 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1468 0.1468
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2387 0.2387
Echinococcus granulosus lamin dm0 0.0033 0.1054 0.332
Toxoplasma gondii hypothetical protein 0.0011 0 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.1054 0.332
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3173 0.3173
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0401 0.0401
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0401 0.1265
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3173 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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.