Detailed information for compound 870823

Basic information

Technical information
  • TDR Targets ID: 870823
  • Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphe nyl)prop-2-enamide
  • MW: 310.37 | Formula: C17H14N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/C(=O)Nc1nc2c(s1)cccc2
  • InChi: 1S/C17H14N2O2S/c1-21-13-9-6-12(7-10-13)8-11-16(20)19-17-18-14-4-2-3-5-15(14)22-17/h2-11H,1H3,(H,18,19,20)/b11-8+
  • InChiKey: BWMGEUMRYJZGHT-DHZHZOJOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
  • (E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)acrylamide
  • N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)acrylamide
  • IVK/9066709
  • ZINC00176125
  • IFLab1_000937

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 serine/threonine protein kinase 0.1421 1 1
Echinococcus granulosus cyclin dependent kinase 9 0.0072 0.0368 0.0368
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0021 0 0.5
Echinococcus multilocularis cyclin dependent kinase 9 0.0063 0.0303 0.0303
Onchocerca volvulus 0.1421 1 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0021 0 0.5
Brugia malayi cyclin-dependent kinase 9 0.0063 0.0303 0.0303
Entamoeba histolytica protein kinase domain containing protein 0.0063 0.0303 1
Trichomonas vaginalis CMGC family protein kinase 0.1421 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1421 1 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.1421 1 1
Echinococcus granulosus CDC7 cell division cycle 7 0.1421 1 1
Schistosoma mansoni kinase 0.0063 0.0303 0.0303
Plasmodium falciparum MO15-related protein kinase 0.0021 0 0.5
Echinococcus multilocularis cyclin dependent kinase 9 0.0072 0.0368 0.0368
Onchocerca volvulus 0.1421 1 0.5
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0021 0 0.5
Leishmania major serine/threonine kinase-like protein, putative 0.0021 0 0.5
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0021 0 0.5
Giardia lamblia Kinase, CDC7 0.1421 1 1
Trypanosoma brucei protein kinase, putative 0.0021 0 0.5
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0021 0 0.5
Loa Loa (eye worm) CDC7 protein kinase 0.1421 1 1
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0063 0.0303 0.0303
Trichomonas vaginalis CMGC family protein kinase 0.1421 1 1
Echinococcus granulosus cyclin dependent kinase 9 0.0063 0.0303 0.0303
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0021 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0293 0.1942 0.1942
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 435 umol/Kg Anticonvulsant activity in ip dosed albino mouse assessed as absence of hind limb tonic extension after 0.5 hrs by MES test ChEMBL. 19853976
TD50 (ADMET) = 540 umol/Kg Neurotoxicity in ip dosed albino mouse during 1 min by rotarod test ChEMBL. 19853976

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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