Detailed information for compound 1469578

Basic information

Technical information
  • TDR Targets ID: 1469578
  • Name: 3-methyl-1-[[1-(phenylmethyl)tetrazol-5-yl]-t hiophen-2-ylmethyl]piperidine
  • MW: 353.484 | Formula: C19H23N5S
  • H donors: 0 H acceptors: 3 LogP: 3.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCN(C1)C(c1nnnn1Cc1ccccc1)c1cccs1
  • InChi: 1S/C19H23N5S/c1-15-7-5-11-23(13-15)18(17-10-6-12-25-17)19-20-21-22-24(19)14-16-8-3-2-4-9-16/h2-4,6,8-10,12,15,18H,5,7,11,13-14H2,1H3
  • InChiKey: XIXKLJQURSSJTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-1-[[1-(phenylmethyl)tetrazol-5-yl]-(2-thienyl)methyl]piperidine
  • 3-methyl-1-[[1-(phenylmethyl)-5-tetrazolyl]-(2-thienyl)methyl]piperidine
  • 1-[[1-(benzyl)tetrazol-5-yl]-(2-thienyl)methyl]-3-methyl-piperidine
  • 3-methyl-1-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-thiophen-2-yl-methyl]piperidine
  • ASN 05078680

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 discoidin domain containing receptor 2 0.0022 0.0011 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0471 0.0955 0.1253
Toxoplasma gondii PA14 domain-containing protein 0.0022 0.0011 0.0007
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.002 0.0007 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Echinococcus granulosus discoidin domain containing receptor 2 0.0022 0.0011 0.0015
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0471 0.0955 0.0955
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0004 0.0004
Trypanosoma brucei protein kinase, putative 0.002 0.0007 0.0004
Onchocerca volvulus 0.0177 0.0338 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.3648 0.7626 1
Plasmodium falciparum protein kinase, putative 0.002 0.0007 0.3937
Echinococcus multilocularis nuclear receptor 2C2 associated protein 0.0022 0.0011 0.0015
Echinococcus granulosus activin receptor type 0.002 0.0007 0.0009
Schistosoma mansoni serine/threonine protein kinase 0.0471 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0011 0.0011
Echinococcus multilocularis mitogen activated protein kinase 14 0.3648 0.7626 1
Schistosoma mansoni tyrosine kinase 0.0416 0.0839 0.8778
Schistosoma mansoni protein kinase 0.002 0.0007 0.0073
Mycobacterium tuberculosis Possible arabinofuranosyltransferase AftD 0.0022 0.0011 1
Echinococcus multilocularis discoidin domain containing receptor 2 0.0022 0.0011 0.0015
Plasmodium vivax LCCL domain-containing protein 0.0022 0.0011 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.0305 0.0305
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0004 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0022 0.0011 0.0007
Toxoplasma gondii hypothetical protein 0.4779 1 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.3648 0.7626 1
Echinococcus multilocularis discoidin domain containing receptor 2 0.0022 0.0011 0.0015
Loa Loa (eye worm) hypothetical protein 0.4779 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0004 0.0005
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.3648 0.7626 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0174 0.033 0.0433
Echinococcus multilocularis mitogen activated protein kinase 11 0.3648 0.7626 1
Echinococcus granulosus mitogen activated protein kinase 11 0.3648 0.7626 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0004 0.0005
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0022 0.0011 0.0015
Toxoplasma gondii F5/8 type C domain-containing protein 0.0022 0.0011 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Schistosoma mansoni protein kinase 0.002 0.0007 0.0073
Leishmania major protein kinase, putative 0.002 0.0007 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Brugia malayi P38 map kinase family protein 2 0.3648 0.7626 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0031 0.0032 0.0042
Echinococcus multilocularis dual specificity testis specific protein kinase 0.002 0.0007 0.0009
Loa Loa (eye worm) TK/DDR protein kinase 0.0156 0.0293 0.0293
Echinococcus multilocularis activin receptor type 0.002 0.0007 0.0009
Loa Loa (eye worm) TK/ABL protein kinase 0.0422 0.0851 0.0851
Loa Loa (eye worm) hypothetical protein 0.4779 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0004 0.0005
Echinococcus granulosus Coagulation factor 5 8 type C terminal 0.0022 0.0011 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Schistosoma mansoni septate junction protein 0.0022 0.0011 0.0118
Entamoeba histolytica protein kinase, putative 0.0021 0.001 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.0329 0.0329
Brugia malayi Tyrosine-protein kinase abl-1 0.0174 0.033 0.0433
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0022 0.0011 1
Schistosoma mansoni ap endonuclease 0.0018 0.0004 0.0044
Entamoeba histolytica protein kinase domain containing protein 0.002 0.0007 0.4627
Plasmodium falciparum LCCL domain-containing protein 0.0022 0.0011 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Toxoplasma gondii F5/8 type C domain-containing protein 0.0022 0.0011 0.0007
Brugia malayi Tyrosine-protein kinase abl-1 0.0254 0.0499 0.0654
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.002 0.0007 0.0003
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.3648 0.7626 1
Schistosoma mansoni protein kinase 0.002 0.0007 0.0073
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0004 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Schistosoma mansoni hypothetical protein 0.0022 0.0011 0.0118
Echinococcus granulosus discoidin domain receptor 0.0173 0.0329 0.0431
Loa Loa (eye worm) hypothetical protein 0.0156 0.0293 0.0293
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0022 0.0011 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Schistosoma mansoni ap endonuclease 0.0018 0.0004 0.0044
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.3648 0.7626 0.7626
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.002 0.0007 0.0004
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.002 0.0007 0.0004
Echinococcus multilocularis mitogen activated protein kinase 11 0.3648 0.7626 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0022 0.0011 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Schistosoma mansoni discoidin domain receptor 0.0022 0.0011 0.0118
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Echinococcus granulosus dual specificity testis-specific protein kinase 0.002 0.0007 0.0009
Echinococcus multilocularis discoidin domain containing receptor 2 0.0022 0.0011 0.0015
Echinococcus granulosus mitogen activated protein kinase 14 0.3648 0.7626 1
Schistosoma mansoni dock 0.0022 0.0011 0.0118
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0004 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.3648 0.7626 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0422 0.0851 0.1116
Plasmodium vivax LCCL domain-containing protein 0.0022 0.0011 1
Echinococcus multilocularis discoidin domain receptor 0.0022 0.0011 0.0015
Brugia malayi Stress-activated protein kinase jnk-1 0.0471 0.0955 0.1253
Trichomonas vaginalis hypothetical protein 0.0022 0.0011 1
Schistosoma mansoni btb and poz domain-containing protein 0.0022 0.0011 0.0118
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0021 0.001 1
Schistosoma mansoni discoidin domain receptor 0.0022 0.0011 0.0118
Plasmodium falciparum LCCL domain-containing protein 0.0022 0.0011 1
Onchocerca volvulus 0.0022 0.0011 0.0042
Echinococcus granulosus c-Jun N-terminal kinases 0.0471 0.0955 0.1253
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0422 0.0851 0.1116
Brugia malayi Protein kinase domain containing protein 0.0177 0.0338 0.0444
Echinococcus granulosus discoidin domain containing receptor 2 0.0022 0.0011 0.0015
Mycobacterium leprae PROBABLE CONSERVED TRANSMEMBRANE PROTEIN 0.0022 0.0011 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0011 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.4779 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0004 0.5

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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