Detailed information for compound 343556

Basic information

Technical information
  • TDR Targets ID: 343556
  • Name: 1-(4-cyclopentylphenyl)-2-(2-imino-1,3-benzot hiazol-3-yl)ethanone
  • MW: 336.451 | Formula: C20H20N2OS
  • H donors: 0 H acceptors: 1 LogP: 5.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C1CCCC1)Cn1c(=N)sc2c1cccc2
  • InChi: 1S/C20H20N2OS/c21-20-22(17-7-3-4-8-19(17)24-20)13-18(23)16-11-9-15(10-12-16)14-5-1-2-6-14/h3-4,7-12,14,21H,1-2,5-6,13H2
  • InChiKey: VWNNQUUPGCSFFF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0074 0.0074
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0517 0.2702 0.5
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0517 0.2702 0.2648
Leishmania major polyprenyl synthase, putative 0.0686 0.3604 0.1235
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1885 1 1
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0517 0.2702 0.2648
Schistosoma mansoni P2X receptor subunit 0.0117 0.0571 0.0501
Onchocerca volvulus 0.0189 0.0956 1
Trypanosoma cruzi polyprenyl synthase, putative 0.0686 0.3604 0.1235
Schistosoma mansoni glutathione synthetase 0.0517 0.2702 0.2648
Echinococcus multilocularis p2X purinoceptor 4 0.0196 0.0994 0.0994
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0517 0.2702 0.2702
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0517 0.2702 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1885 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1885 1 1
Schistosoma mansoni P2X receptor subunit 0.0196 0.0994 0.0927
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0517 0.2702 0.2702
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0517 0.2702 0.5
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0686 0.3604 0.3557
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0074
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0069 0.0069
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0517 0.2702 0.5
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1885 1 1
Echinococcus granulosus p2X purinoceptor 4 0.0196 0.0994 0.0994
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0074 0.0074
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0051 0.0218 0.0218
Echinococcus multilocularis p2X purinoceptor 4 0.0196 0.0994 0.0994
Echinococcus granulosus p2X purinoceptor 4 0.0196 0.0994 0.0994
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0517 0.2702 0.2702
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0517 0.2702 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1885 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1885 1 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1885 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0517 0.2702 0.5
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0517 0.2702 0.2702
Trypanosoma cruzi polyprenyl synthase, putative 0.0686 0.3604 0.1235
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0686 0.3604 0.3604
Schistosoma mansoni P2X receptor subunit 0.0117 0.0571 0.0501
Brugia malayi Polyprenyl synthetase family protein 0.0517 0.2702 0.2648
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0074 0.0074
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1885 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1885 1 1
Schistosoma mansoni trans-prenyltransferase 0.0517 0.2702 0.2648
Treponema pallidum octaprenyl-diphosphate synthase 0.0686 0.3604 0.5
Leishmania major farnesyl pyrophosphate synthase 0.1885 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1885 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1885 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0051 0.0218 0.0218
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1885 1 1
Echinococcus granulosus p2X purinoceptor 4 0.0196 0.0994 0.0994
Brugia malayi Pre-SET motif family protein 0.0166 0.0833 0.0765
Schistosoma mansoni P2X receptor subunit 0.0196 0.0994 0.0927
Loa Loa (eye worm) polyprenyl synthetase 0.1885 1 1
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0686 0.3604 0.3604
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0166 0.0833 0.0833
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0686 0.3604 0.3604
Loa Loa (eye worm) polyprenyl synthetase 0.0517 0.2702 0.2702
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1885 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0686 0.3604 0.3557
Giardia lamblia Farnesyl diphosphate synthase 0.1885 1 0.5
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1885 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0517 0.2702 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.0196 0.0994 0.0994
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1885 1 1

Activities

Activity type Activity value Assay description Source Reference
Survival (functional) = 33 % Average percent survival of C57Bl/6 mice thymocytes from dexamethasone (5 uM) induced apoptosis at 5 uM ChEMBL. 16190767
Survival (functional) = 33 % Average percent survival of C57Bl/6 mice thymocytes from dexamethasone (5 uM) induced apoptosis at 5 uM ChEMBL. 16190767

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

No external resources registered 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.