Detailed information for compound 1061388

Basic information

Technical information
  • TDR Targets ID: 1061388
  • Name: 2-[(2-chlorophenyl)amino]-5-(3-furan-2-ylprop -2-enylidene)-1,3-thiazol-4-one
  • MW: 330.789 | Formula: C16H11ClN2O2S
  • H donors: 1 H acceptors: 1 LogP: 4.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N=C(S/C/1=C\C=C\c1ccco1)Nc1ccccc1Cl
  • InChi: 1S/C16H11ClN2O2S/c17-12-7-1-2-8-13(12)18-16-19-15(20)14(22-16)9-3-5-11-6-4-10-21-11/h1-10H,(H,18,19,20)/b5-3+,14-9-
  • InChiKey: YXBPMLFSBLWLCH-OXTPFRESSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-2-[(2-chlorophenyl)amino]-5-[(E)-3-furan-2-ylprop-2-enylidene]-1,3-thiazol-4-one
  • 2-[(2-chlorophenyl)amino]-5-[3-(2-furyl)prop-2-enylidene]thiazol-4-one
  • (5Z)-2-[(2-chlorophenyl)amino]-5-[(E)-3-(2-furyl)prop-2-enylidene]thiazol-4-one
  • 2-[(2-chlorophenyl)amino]-5-[3-(2-furyl)prop-2-enylidene]-4-thiazolone
  • (5Z)-2-[(2-chlorophenyl)amino]-5-[(E)-3-(2-furyl)prop-2-enylidene]-4-thiazolone
  • ZINC05574555
  • ZINC05499217

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cell division cycle 25A Starlite/ChEMBL References
Homo sapiens cell division cycle 25B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25b, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25c, putative Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Candida albicans almost identical to C terminus of CaP19.3071, which is similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. ce Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Rhodanese-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Candida albicans similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. cerevisiae MIH1 (YMR036C) Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25b, putative Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Echinococcus multilocularis m phase inducer phosphatase(cdc25) Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Rhodanese-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma mansoni m-phase inducer phosphatase(cdc25) Get druggable targets OG5_127845 All targets in OG5_127845
Echinococcus granulosus m phase inducer phosphatasecdc25 Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
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
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0915 0.5
Onchocerca volvulus 0.0137 0.5381 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.5381 0.5381
Loa Loa (eye worm) hypothetical protein 0.0242 1 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6998 0.6998
Brugia malayi beta-lactamase 0.0035 0.0915 0.0915
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1526 0.1526
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1552 0.1552
Schistosoma mansoni intermediate filament proteins 0.0026 0.0531 0.0879
Schistosoma mansoni lamin 0.0026 0.0531 0.0879
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0064 0.0064
Schistosoma mansoni lamin 0.0026 0.0531 0.0879
Loa Loa (eye worm) beta-lactamase 0.0035 0.0915 0.0915
Schistosoma mansoni survival motor neuron protein 0.0049 0.1552 0.2798
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0.5381 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.0915
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.0915
Mycobacterium ulcerans hypothetical protein 0.0035 0.0915 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0915 0.0915
Brugia malayi Rhodanese-like domain containing protein 0.0137 0.5381 0.5381
Schistosoma mansoni hypothetical protein 0.0049 0.1552 0.2798
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.9146 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0126 0.4913 0.4913
Echinococcus multilocularis lamin 0.0026 0.0531 0.047
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0137 0.5381 0.7603
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0126 0.4913 0.4913
Brugia malayi beta-lactamase family protein 0.0035 0.0915 0.0915
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0137 0.5381 0.7603
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0849 0.0849
Mycobacterium ulcerans beta-lactamase 0.0035 0.0915 0.5
Brugia malayi hypothetical protein 0.0035 0.0913 0.0913
Echinococcus granulosus intermediate filament protein 0.0026 0.0531 0.047
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0137 0.5381 0.5352
Trichomonas vaginalis conserved hypothetical protein 0.0169 0.679 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0915 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0064 0.0064
Mycobacterium leprae Probable lipase LipE 0.0035 0.0915 0.5
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0137 0.5381 0.5352
Echinococcus multilocularis survival motor neuron protein 1 0.0242 1 1
Onchocerca volvulus 0.0137 0.5381 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0137 0.5381 0.7603
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0137 0.5381 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.0915
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.0915
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0.5381 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0915 0.0856
Onchocerca volvulus 0.0137 0.5381 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0915 0.5
Echinococcus granulosus lamin dm0 0.0026 0.0531 0.047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0915 0.16
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0915 0.0915
Brugia malayi Rhodanese-like domain containing protein 0.0137 0.5381 0.5381
Onchocerca volvulus 0.0035 0.0915 0.079
Loa Loa (eye worm) hypothetical protein 0.0026 0.051 0.051
Brugia malayi intermediate filament protein 0.0026 0.0531 0.0531
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0137 0.5381 0.7603
Onchocerca volvulus 0.0035 0.0915 0.079
Trichomonas vaginalis cdc25b, putative 0.0137 0.5381 0.7603
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1526 0.1526
Loa Loa (eye worm) hypothetical protein 0.0026 0.0531 0.0531
Trichomonas vaginalis cdc25c, putative 0.0137 0.5381 0.7603
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0913 0.0855
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0915 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0915 0.0856
Echinococcus granulosus lamin 0.0026 0.0531 0.047
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0531 0.0531
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0.5381 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0915 0.0915
Echinococcus granulosus survival motor neuron protein 1 0.0242 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0915 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0913 0.1598
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0174 0.6998 0.6998
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1526 0.1526
Echinococcus multilocularis lamin dm0 0.0026 0.0531 0.047
Loa Loa (eye worm) hypothetical protein 0.0015 0.0064 0.0064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0913 0.0855
Onchocerca volvulus 0.0137 0.5381 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.0915
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0915 0.16
Trichomonas vaginalis cdc25b, putative 0.0137 0.5381 0.7603
Toxoplasma gondii ABC1 family protein 0.0035 0.0915 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0849 0.1477
Echinococcus multilocularis musashi 0.0026 0.0531 0.047
Onchocerca volvulus 0.0035 0.0915 0.079
Loa Loa (eye worm) hypothetical protein 0.0137 0.5381 0.5381
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0137 0.5381 0.7603
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0913 0.1598
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0915 0.5
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0064 0.0064
Leishmania major hypothetical protein, conserved 0.0035 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.0915
Onchocerca volvulus 0.0049 0.1552 0.2104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1526 0.1526

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.1 uM Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader assay ChEMBL. 19497739
IC50 (binding) = 10.1 uM Inhibition of N-terminal 6xHis-tagged human Cdc25A (336-523) catalytic domain expressed in Escherichia coli after 20 mins by fluorescent plate reader assay ChEMBL. 19497739

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

1 literature reference was collected for this gene.

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