Detailed information for compound 818448

Basic information

Technical information
  • TDR Targets ID: 818448
  • Name: (E)-3-furan-2-yl-N-(phenylmethylcarbamothioyl )prop-2-enamide
  • MW: 286.349 | Formula: C15H14N2O2S
  • H donors: 2 H acceptors: 1 LogP: 2.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NC(=O)C=Cc1ccco1)NCc1ccccc1
  • InChi: 1S/C15H14N2O2S/c18-14(9-8-13-7-4-10-19-13)17-15(20)16-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,16,17,18,20)/b9-8+
  • InChiKey: AGBFICLKZNMBQZ-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-furan-2-yl-N-(phenylmethylcarbamothioyl)prop-2-enamide
  • (E)-3-(2-furyl)-N-(phenylmethylcarbamothioyl)prop-2-enamide
  • 3-(2-furyl)-N-(phenylmethylcarbamothioyl)prop-2-enamide
  • 3-(2-furyl)-N-[(phenylmethylamino)-thioxomethyl]prop-2-enamide
  • (E)-3-(2-furyl)-N-[(phenylmethylamino)-thioxomethyl]prop-2-enamide
  • (E)-N-(benzylthiocarbamoyl)-3-(2-furyl)acrylamide
  • N-(benzylthiocarbamoyl)-3-(2-furyl)acrylamide
  • CBMicro_008105
  • ZINC00284328
  • BIM-0008174.P001

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 methionyl aminopeptidase 1 (M24 family) 0.0112 0.2881 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0249 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0112 0.2881 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0249 0.066
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0249 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0249 0.066
Trypanosoma brucei methionine aminopeptidase, putative 0.0128 0.3368 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0249 0.0563
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0249 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0128 0.3368 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0249 0.0759
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0249 0.066
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0112 0.2881 0.8555
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0249 0.066
Toxoplasma gondii methionine aminopeptidase 0.0128 0.3368 1
Toxoplasma gondii methionine aminopeptidase 0.0112 0.2881 0.8555
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0128 0.3368 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0249 0.066
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0249 0.066
Echinococcus multilocularis tumor protein p63 0.0349 1 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0128 0.3368 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0128 0.3368 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0112 0.2881 1
Brugia malayi Methionine aminopeptidase protein type I 0.0128 0.3368 1
Treponema pallidum methionine aminopeptidase (map) 0.0112 0.2881 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0112 0.2881 1
Chlamydia trachomatis methionine aminopeptidase 0.0112 0.2881 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0249 0.0759
Loa Loa (eye worm) hypothetical protein 0.0024 0.0249 0.0563
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0128 0.3368 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0112 0.2881 0.8555
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0063 0.0187
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0249 0.066
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0112 0.2881 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0128 0.3368 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0063 0.0105
Onchocerca volvulus 0.0051 0.1048 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1048 0.2981
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0112 0.2881 0.8555
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0249 0.066
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0112 0.2881 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0249 0.074
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0063 0.0187
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0128 0.3368 0.0684
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0249 0.074
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0112 0.2881 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0128 0.3368 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0112 0.2881 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0128 0.3368 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0249 0.0563
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0112 0.2881 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0249 0.074

Activities

No activities found for this compound.

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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