Detailed information for compound 839208

Basic information

Technical information
  • TDR Targets ID: 839208
  • Name: 2-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1- yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-car bonitrile
  • MW: 349.453 | Formula: C19H19N5S
  • H donors: 0 H acceptors: 3 LogP: 4.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(sc2c1CCCC2)n1ncnc1c1ccc(cc1)N(C)C
  • InChi: 1S/C19H19N5S/c1-23(2)14-9-7-13(8-10-14)18-21-12-22-24(18)19-16(11-20)15-5-3-4-6-17(15)25-19/h7-10,12H,3-6H2,1-2H3
  • InChiKey: ARKHUWMQGUAGKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
  • ZINC00431662
  • CBMicro_021043
  • BIM-0020846.P001
  • BAS 01645914

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
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0167 0.9511 0.95
Echinococcus multilocularis rac serine:threonine kinase 0.0025 0.1137 0.0973
Schistosoma mansoni kinase 0.0051 0.2681 0.2647
Echinococcus granulosus serine/threonine protein kinase 0.0025 0.1137 0.0973
Brugia malayi Protein kinase domain containing protein 0.0012 0.0394 0.0164
Echinococcus multilocularis nervana 2 0.0021 0.0921 0.0741
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Echinococcus multilocularis neuroglian 0.0012 0.038 0.0157
Onchocerca volvulus 0.0144 0.8138 0.6547
Loa Loa (eye worm) AGC/NDR protein kinase 0.0012 0.0394 0.0313
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0023 0.1011 0.0838
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Brugia malayi Immunoglobulin I-set domain containing protein 0.0157 0.8948 0.8922
Trypanosoma brucei polo-like protein kinase 0.0099 0.5534 0.6513
Echinococcus multilocularis serine threonine protein kinase 0.0012 0.0394 0.0173
Brugia malayi p70 ribosomal S6 kinase beta 0.0034 0.1653 0.1453
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0025 0.1137 0.0193
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Entamoeba histolytica protein kinase, putative 0.0034 0.1653 0.2939
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.5534 0.6923
Echinococcus multilocularis roundabout 2 0.0015 0.0566 0.0358
Toxoplasma gondii AGC kinase 0.0034 0.1653 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.1137 0.1095
Schistosoma mansoni serine/threonine protein kinase 0.0175 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.0134 0.7545 1
Schistosoma mansoni elongation factor 2 kinase 0.0039 0.1962 0.1924
Echinococcus multilocularis serine:threonine protein kinase N2 0.0012 0.0394 0.0173
Schistosoma mansoni atypical protein kinase C 0.0012 0.0394 0.0349
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0012 0.0394 0.0173
Echinococcus granulosus roundabout 2 0.0015 0.0566 0.0358
Echinococcus multilocularis protein kinase c iota type 0.0012 0.0394 0.0173
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0068
Trichomonas vaginalis CAMK family protein kinase 0.0006 0.0038 0.0068
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.1137 0.1095
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0013 0.042 0.0201
Loa Loa (eye worm) hypothetical protein 0.001 0.0234 0.0151
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0012 0.0394 0.0313
Loa Loa (eye worm) hypothetical protein 0.0134 0.7545 0.7524
Loa Loa (eye worm) hypothetical protein 0.001 0.0234 0.0151
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0012 0.0394 0.0173
Entamoeba histolytica hypothetical protein, conserved 0.0039 0.1962 0.35
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Leishmania major myosin heavy chain kinase a-like protein 0.0134 0.7545 1
Trichomonas vaginalis AGC family protein kinase 0.0015 0.052 0.094
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Entamoeba histolytica elongation factor-2 kinase, putative 0.0039 0.1962 0.35
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.5534 0.6398
Giardia lamblia Kinase, PLK 0.0099 0.5534 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0167 0.9511 0.9507
Onchocerca volvulus Tyrosine kinase homolog 0.0147 0.8336 0.7044
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0394 0.0712
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.001 0.0234 0.0188
Schistosoma mansoni Neurotrimin precursor (hNT) 0.001 0.0234 0.0188
Echinococcus granulosus nervana 2 0.0021 0.0921 0.0741
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0012 0.0394 0.0173
Trypanosoma cruzi Protein kinase B 0.0025 0.1137 0.0193
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0167 0.9511 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0023 0.1011 0.0838
Loa Loa (eye worm) hypothetical protein 0.001 0.0234 0.0151
Brugia malayi Hr1 repeat family protein 0.0012 0.0394 0.0164
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0021 0.0921 0.0741
Echinococcus multilocularis Glutaredoxin protein 5 0.0021 0.0921 0.0741
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.5534 0.5713
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0011 0.0304 0.055
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0068
Trichomonas vaginalis TKL family protein kinase 0.0006 0.0038 0.0068
Entamoeba histolytica protein kinase, putative 0.0036 0.1779 0.3168
Schistosoma mansoni nephrin 0.0012 0.038 0.0335
Echinococcus multilocularis nervana 2 0.0021 0.0921 0.0741
Echinococcus granulosus protein kinase c iota type 0.0012 0.0394 0.0173
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0023 0.1011 0.5
Brugia malayi protein kinase C II. 0.0012 0.0394 0.0164
Trichomonas vaginalis TKL family protein kinase 0.0006 0.0038 0.0068
Entamoeba histolytica protein kinase, putative 0.0036 0.1779 0.3168
Loa Loa (eye worm) hypothetical protein 0.0015 0.0566 0.0486
Loa Loa (eye worm) AGC/AKT protein kinase 0.0036 0.1779 0.1709
Echinococcus granulosus serine:threonine protein kinase N2 0.0012 0.0394 0.0173
Entamoeba histolytica protein kinase, putative 0.0039 0.1962 0.35
Trichomonas vaginalis CAMK family protein kinase 0.005 0.2605 0.4707
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0157 0.8948 0.8939
Brugia malayi MHCK/EF2 kinase domain family protein 0.0134 0.7545 0.7486
Loa Loa (eye worm) hypothetical protein 0.0012 0.0394 0.0313
Echinococcus granulosus twitchin 0.0014 0.0469 0.0254
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0012 0.0394 0.0313
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Echinococcus granulosus protein kinase C gamma type 0.0012 0.0394 0.0173
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0394 0.0712
Echinococcus granulosus NDR protein kinase 0.0012 0.0394 0.0173
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0012 0.0394 0.0173
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0167 0.9511 1
Entamoeba histolytica protein kinase, putative 0.0012 0.0394 0.0648
Echinococcus multilocularis serine:threonine protein kinase N2 0.0012 0.0394 0.0173
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0034 0.1653 0.1582
Brugia malayi Protein kinase domain containing protein 0.0012 0.0394 0.0164
Loa Loa (eye worm) hypothetical protein 0.001 0.0234 0.0151
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0175 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0039 0.1962 0.35
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.9511 0.9509
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0167 0.9511 0.9507
Schistosoma mansoni elongation factor 2 kinase 0.0039 0.1962 0.1924
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0023 0.1011 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.5534 0.5496
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0167 0.9511 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0234 0.0151
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0012 0.0394 0.0173
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.5534 0.6923
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0566 0.0486
Echinococcus granulosus eukaryotic elongation factor 2 kinase 0.0134 0.7545 0.788
Echinococcus multilocularis protein kinase c epsilon type 0.0012 0.0394 0.0173
Entamoeba histolytica hypothetical protein, conserved 0.0039 0.1962 0.35
Echinococcus granulosus protein kinase c epsilon type 0.0012 0.0394 0.0173
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.5534 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.042 0.0339
Schistosoma mansoni serine/threonine kinase 0.0012 0.0394 0.0349
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0012 0.0394 0.0313
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.0134 0.7545 1
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Brugia malayi Protein kinase domain containing protein 0.0036 0.1779 0.1582
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.5534 0.5513
Echinococcus granulosus Protein kinase C brain isozyme 0.0012 0.0394 0.0173
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Schistosoma mansoni eukaryotic elongation factor 2 kinase (eef-2 kinase) 0.0134 0.7545 0.7533
Echinococcus granulosus neuroglian 0.0012 0.038 0.0157
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0021 0.0921 0.0741
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.1137 0.2
Trichomonas vaginalis TKL family protein kinase 0.0006 0.0038 0.0068
Schistosoma mansoni vesicular amine transporter 0.001 0.0234 0.0188
Trypanosoma brucei myosin heavy chain kinase A, putative 0.0134 0.7545 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0012 0.0394 0.0313
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0012 0.0394 0.0173
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.5534 0.5713
Echinococcus multilocularis serine:threonine protein kinase 38 0.0012 0.0394 0.0173
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1779 0.3214
Loa Loa (eye worm) hypothetical protein 0.001 0.0234 0.0151
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0394 0.0712
Echinococcus granulosus serine threonine protein kinase nrc 0.0023 0.1011 0.0838
Trypanosoma brucei myosin heavy chain kinase A, putative 0.0134 0.7545 1
Schistosoma mansoni cell adhesion molecule 0.0013 0.042 0.0375
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0394 0.0349
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.5534 0.5427
Echinococcus multilocularis eukaryotic elongation factor 2 kinase 0.0134 0.7545 0.788
Brugia malayi Protein kinase domain containing protein 0.0167 0.9511 0.95
Entamoeba histolytica hypothetical protein 0.0039 0.1962 0.35
Entamoeba histolytica protein kinase 2, putative 0.0023 0.1011 0.177
Echinococcus granulosus Glutaredoxin protein 5 0.0021 0.0921 0.0741
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0012 0.0394 0.0313
Entamoeba histolytica protein kinase, putative 0.0039 0.1962 0.35
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0012 0.0394 0.0173
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5534 1
Trichomonas vaginalis CAMK family protein kinase 0.005 0.2605 0.4707
Echinococcus granulosus nervana 2 0.0021 0.0921 0.0741
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0068
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.1137 0.2

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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