Detailed information for compound 1398218

Basic information

Technical information
  • TDR Targets ID: 1398218
  • Name: (Z)-2-cyano-3-phenyl-N-(phenylmethyl)prop-2-e namide
  • MW: 262.306 | Formula: C17H14N2O
  • H donors: 1 H acceptors: 2 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C/c1ccccc1)/C(=O)NCc1ccccc1
  • InChi: 1S/C17H14N2O/c18-12-16(11-14-7-3-1-4-8-14)17(20)19-13-15-9-5-2-6-10-15/h1-11H,13H2,(H,19,20)/b16-11-
  • InChiKey: GUURNUUYOORXRM-WJDWOHSUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-N-(benzyl)-2-cyano-3-phenyl-acrylamide
  • MLS000420255
  • SMR000322790

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens perilipin 5 No references
Homo sapiens perilipin 1 No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens abhydrolase domain containing 5 No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei Alpha/beta hydrolase family, putative Get druggable targets OG5_127681 All targets in OG5_127681
Loa Loa (eye worm) hydrolase Get druggable targets OG5_127681 All targets in OG5_127681
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127681 All targets in OG5_127681
Candida albicans Induced during aerobic growth Get druggable targets OG5_127681 All targets in OG5_127681
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_127681 All targets in OG5_127681
Schistosoma japonicum Abhydrolase domain-containing protein 4, putative Get druggable targets OG5_127681 All targets in OG5_127681
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_128723 All targets in OG5_128723
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127681 All targets in OG5_127681
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani Alpha/beta hydrolase family, putative Get druggable targets OG5_127681 All targets in OG5_127681
Schistosoma japonicum expressed protein Get druggable targets OG5_127681 All targets in OG5_127681
Echinococcus granulosus abhydrolase domain containing protein Get druggable targets OG5_127681 All targets in OG5_127681
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127681 All targets in OG5_127681
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis abhydrolase domain containing protein Get druggable targets OG5_127681 All targets in OG5_127681
Brugia malayi hydrolase, alpha/beta fold family protein Get druggable targets OG5_127681 All targets in OG5_127681
Candida albicans induced during aerobic growth Get druggable targets OG5_127681 All targets in OG5_127681
Echinococcus granulosus intermediate filament protein 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
Candida albicans Induced during aerobic growth Get druggable targets OG5_127681 All targets in OG5_127681
Plasmodium falciparum epoxide hydrolase 1 Get druggable targets OG5_127681 All targets in OG5_127681
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni hydrolase Get druggable targets OG5_127681 All targets in OG5_127681
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127681 All targets in OG5_127681
Candida albicans hypothetical protein Get druggable targets OG5_127681 All targets in OG5_127681
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127681 All targets in OG5_127681
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0033 0.5349 0.5349
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5349 0.5349
Loa Loa (eye worm) hypothetical protein 0.0032 0.5138 0.5138
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5349 0.5349
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5349 0.5349
Brugia malayi intermediate filament protein 0.0033 0.5349 0.5349
Onchocerca volvulus 0.0038 0.7124 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0038 0.7124 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13.144 uM PUBCHEM_BIOASSAY: Luminescence-based biochemical high throughput dose response assay for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-1 (PLIN1) (2K validation set). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493027, AID493057] ChEMBL. No reference
IC50 (binding) = 17.249 uM PUBCHEM_BIOASSAY: Luminescence-based biochemical high throughput dose response assay for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-5 (MLDP; PLIN5) (2K validation set). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493035, AID493241] ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.5615 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 for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (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.