Detailed information for compound 889231

Basic information

Technical information
  • TDR Targets ID: 889231
  • Name: 1-[(3-chloro-4-fluorophenyl)methyl]-3-(4-dime thylaminophenyl)thiourea
  • MW: 337.843 | Formula: C16H17ClFN3S
  • H donors: 2 H acceptors: 0 LogP: 3.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccc(cc1)N(C)C)NCc1ccc(c(c1)Cl)F
  • InChi: 1S/C16H17ClFN3S/c1-21(2)13-6-4-12(5-7-13)20-16(22)19-10-11-3-8-15(18)14(17)9-11/h3-9H,10H2,1-2H3,(H2,19,20,22)
  • InChiKey: BONWJXHYWVFDQS-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[(3-chloro-4-fluoro-phenyl)methyl]-3-(4-dimethylaminophenyl)thiourea
  • 1-(3-chloro-4-fluoro-benzyl)-3-(4-dimethylaminophenyl)thiourea

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
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0061 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.0672 0.0672
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0051 0.0061 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.0455 0.0455
Toxoplasma gondii aminopeptidase N protein 0.0051 0.0061 0.5
Onchocerca volvulus 0.0068 0.0251 1
Brugia malayi hypothetical protein 0.0051 0.0061 0.0011
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0061 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Brugia malayi hypothetical protein 0.0068 0.0251 0.044
Trypanosoma brucei Aminopeptidase M1, putative 0.0051 0.0061 0.5
Brugia malayi Peptidase family M1 containing protein 0.0051 0.0061 0.0011
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Loa Loa (eye worm) peptidase family M1 containing protein 0.0051 0.0061 0.0005
Brugia malayi Dopamine receptor protein 1 0.045 0.4478 1
Echinococcus granulosus aminopeptidase N 0.0051 0.0061 0.0061
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0158 0.1251 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.3081 1
Brugia malayi hypothetical protein 0.0437 0.4329 0.9664
Brugia malayi jmjC domain containing protein 0.0106 0.0672 0.1393
Brugia malayi Peptidase family M1 containing protein 0.0051 0.0061 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0051 0.0061 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0051 0.0061 0.5
Schistosoma mansoni hypothetical protein 0.007 0.0277 0.0217
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0051 0.0061 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.084 0.084
Schistosoma mansoni lipoxygenase 0.0085 0.0438 0.0379
Trypanosoma cruzi Aminopeptidase M1, putative 0.0051 0.0061 0.5
Echinococcus multilocularis geminin 0.0188 0.1578 0.1578
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0061 0.5
Schistosoma mansoni hypothetical protein 0.0188 0.1578 0.1526
Echinococcus multilocularis aminopeptidase N 0.0051 0.0061 0.0061
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0051 0.0061 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0951 1 1
Brugia malayi Peptidase family M1 containing protein 0.0051 0.0061 0.0011
Loa Loa (eye worm) hypothetical protein 0.0051 0.0061 0.0005
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0051 0.0061 0.5
Echinococcus granulosus geminin 0.0188 0.1578 0.1578
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0158 0.1251 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.0672 0.0672
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0061 0.5
Brugia malayi TATA binding protein associated factor 0.0051 0.0061 0.0011
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0158 0.1251 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0051 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0055 0.0115 0.0059
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0114 0.0058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0114 0.013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0951 1 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0051 0.0061 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0051 0.0061 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.024 0.0185
Loa Loa (eye worm) hypothetical protein 0.045 0.4478 0.4447
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0051 0.0061 0.5
Brugia malayi bZIP transcription factor family protein 0.0086 0.0455 0.0902
Toxoplasma gondii aminopeptidase n, putative 0.0051 0.0061 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0051 0.0061 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0114 0.013
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.084 0.084
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0951 1 1
Trypanosoma brucei aminopeptidase, putative 0.0051 0.0061 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Trypanosoma cruzi aminopeptidase, putative 0.0051 0.0061 0.5
Echinococcus granulosus jun protein 0.0086 0.0455 0.0455
Brugia malayi hypothetical protein 0.0051 0.0061 0.0011
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Schistosoma mansoni lipoxygenase 0.0121 0.084 0.0784
Schistosoma mansoni hypothetical protein 0.0188 0.1578 0.1526
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.0455 0.0455
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Treponema pallidum fructose-bisphosphate aldolase 0.0324 0.3081 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.0051 0.0061 0.0005
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0324 0.3081 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0114 0.0058
Trypanosoma cruzi aminopeptidase, putative 0.0051 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0429 0.0375
Echinococcus multilocularis jun protein 0.0086 0.0455 0.0455
Trypanosoma brucei Aminopeptidase M1, putative 0.0051 0.0061 0.5
Schistosoma mansoni jun-related protein 0.007 0.0277 0.0217
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.3081 1
Loa Loa (eye worm) aminopeptidase N 0.0051 0.0061 0.0005
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.3081 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0061 0.0061
Toxoplasma gondii aminopeptidase N, putative 0.0051 0.0061 0.5
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0432 0.0373
Loa Loa (eye worm) hypothetical protein 0.0051 0.0061 0.0005
Loa Loa (eye worm) hypothetical protein 0.0051 0.0061 0.0005

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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