Detailed information for compound 1480431

Basic information

Technical information
  • TDR Targets ID: 1480431
  • Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-methyl-1- [1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]pi perazine
  • MW: 428.528 | Formula: C22H32N6O3
  • H donors: 0 H acceptors: 3 LogP: 2.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(c1nnnn1CC1CCCO1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C
  • InChi: 1S/C22H32N6O3/c1-16(2)21(22-23-24-25-28(22)14-18-4-3-11-29-18)27-9-7-26(8-10-27)13-17-5-6-19-20(12-17)31-15-30-19/h5-6,12,16,18,21H,3-4,7-11,13-15H2,1-2H3
  • InChiKey: KHBNDWXWXJUTOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-methyl-1-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
  • 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-methyl-1-[1-(2-tetrahydrofuranylmethyl)-5-tetrazolyl]propyl]piperazine
  • 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-methyl-1-[1-(tetrahydrofurfuryl)tetrazol-5-yl]propyl]piperazine
  • 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-methyl-1-[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazine
  • ASN 05554720
  • Oprea1_438016

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
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.1118 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.1118 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0148 0.3797 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.1783 0.3139
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.1118 0.1655
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.1118 0.5
Trypanosoma brucei CAAX amino terminal protease, putative 0.019 0.5477 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0148 0.3797 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1118 0.1903
Brugia malayi Probable ClpP-like protease 0.0081 0.1118 0.1655
Giardia lamblia Fructose-bisphosphate aldolase 0.0304 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.1118 0.2041
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.1118 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Brugia malayi CAAX amino terminal protease family protein 0.019 0.5477 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.1118 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0253 0.0463
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0148 0.3797 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0253 0.0463
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Loa Loa (eye worm) hypothetical protein 0.019 0.5477 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.019 0.5477 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.1118 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.1783 0.2929
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.019 0.5477 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0304 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0304 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.019 0.5477 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.1118 0.2439
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.1118 0.2439
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.0253 0.0667
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Brugia malayi Trypsin family protein 0.0098 0.1783 0.2929
Echinococcus multilocularis CAAX prenyl protease 2 0.019 0.5477 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.1118 0.2041
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.1783 0.2929
Echinococcus granulosus CAAX prenyl protease 2 0.019 0.5477 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.1118 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.1783 0.3139
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 1 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.019 0.5477 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.1118 0.2944
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.019 0.5477 1
Onchocerca volvulus 0.0098 0.1783 1

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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