Detailed information for compound 170213

Basic information

Technical information
  • TDR Targets ID: 170213
  • Name: 2-piperidin-1-yl-1,3-benzoxazole
  • MW: 202.252 | Formula: C12H14N2O
  • H donors: 0 H acceptors: 1 LogP: 3.06 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)c1nc2c(o1)cccc2
  • InChi: 1S/C12H14N2O/c1-4-8-14(9-5-1)12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2
  • InChiKey: ZSBQPJZYLMTSLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(1-piperidyl)-1,3-benzoxazole
  • 2-piperidino-1,3-benzoxazole
  • 2851-09-4
  • 2-Piperidin-1-yl-benzooxazole
  • BAS 05305693
  • ZINC00180000
  • AJ-292/42035155
  • EU-0009292
  • 2-Piperidinobenzoxazole
  • Benzoxazole, 2-(1-piperidinyl)-
  • Benzoxazole, 2-piperidino-
  • EINECS 220-660-5

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
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0592 0.6625 0.7271
Plasmodium falciparum L-lactate dehydrogenase 0.0778 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0778 1 0.5
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.064 0.7508 0.5
Echinococcus multilocularis malate dehydrogenase 0.0592 0.6625 0.5951
Schistosoma mansoni malate dehydrogenase 0.0592 0.6625 0.4106
Entamoeba histolytica malate dehydrogenase, putative 0.0778 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.064 0.7508 0.5
Trypanosoma brucei cytosolic malate dehydrogenase 0.064 0.7508 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.064 0.7508 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0461 0.4274 0.5693
Plasmodium vivax malate dehydrogenase, putative 0.0778 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0778 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Mycobacterium ulcerans malate dehydrogenase 0.064 0.7508 0.5
Plasmodium falciparum malate dehydrogenase 0.0778 1 1
Leishmania major glycosomal malate dehydrogenase 0.0592 0.6625 0.4106
Chlamydia trachomatis malate dehydrogenase 0.064 0.7508 0.5
Echinococcus granulosus malate dehydrogenase 0.0592 0.6625 0.5951
Trypanosoma brucei glycosomal malate dehydrogenase 0.0592 0.6625 0.7271
Trypanosoma cruzi malate dehydrogenase, putative 0.0592 0.6625 0.7271
Echinococcus granulosus L lactate dehydrogenase B chain 0.0778 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.064 0.7508 1
Echinococcus multilocularis malate dehydrogenase 0.0592 0.6625 0.5951
Giardia lamblia Malate dehydrogenase 0.064 0.7508 0.5
Leishmania major malate dehydrogenase 0.0592 0.6625 0.4106
Echinococcus multilocularis lactate dehydrogenase a 0.0778 1 1
Echinococcus granulosus lactate dehydrogenase a 0.0778 1 1
Schistosoma mansoni malate dehydrogenase 0.064 0.7508 0.5648
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.064 0.7508 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0592 0.6625 0.7271
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0778 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.064 0.7508 1
Schistosoma mansoni malate dehydrogenase 0.0778 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.064 0.7508 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.064 0.7508 0.701
Plasmodium vivax lactate dehydrogenase 0.0778 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.064 0.7508 0.701
Schistosoma mansoni malate dehydrogenase 0.064 0.7508 0.5648
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Schistosoma mansoni L-lactate dehydrogenase 0.0778 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.0778 1 0.5
Echinococcus multilocularis lactate dehydrogenase protein 0.0778 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Echinococcus granulosus lactate dehydrogenase a 0.0778 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.064 0.7508 0.701
Brugia malayi Malate dehydrogenase, cytoplasmic 0.064 0.7508 0.2615
Trichomonas vaginalis malate dehydrogenase, putative 0.0404 0.3234 0.4307
Echinococcus multilocularis lactate dehydrogenase a 0.0778 1 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0592 0.6625 0.7271
Loa Loa (eye worm) malate dehydrogenase 0.064 0.7508 0.2615
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.064 0.7508 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Echinococcus granulosus lactate dehydrogenase protein 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.064 0.7508 1
Echinococcus granulosus malate dehydrogenase 0.0592 0.6625 0.5951
Echinococcus granulosus cytosolic malate dehydrogenase 0.064 0.7508 0.701
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0778 1 0.5
Leishmania major malate dehydrogenase, putative 0.0778 1 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0778 1 0.5
Leishmania major cytosolic malate dehydrogenase 0.064 0.7508 0.5648
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0592 0.6625 0.7271
Leishmania major mitochondrial malate dehydrogenase 0.0592 0.6625 0.4106

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 52.51 uM Cytotoxicity against Homo sapiens (human) A549 cell by MTT assay ChEMBL. No reference
IZ (functional) = 9 mm Antimicrobial activity against Saccharomyces cerevisiae MTCC 36 at 100 ug after 48 hr by agar well diffusion method ChEMBL. No reference
IZ (functional) = 9 mm Antimicrobial activity against Candida albicans MTCC 227 at 100 ug after 48 hr by agar well diffusion method ChEMBL. No reference
IZ (functional) = 12 mm Antimicrobial activity against Saccharomyces cerevisiae MTCC 36 at 150 ug after 48 hr by agar well diffusion method ChEMBL. No reference
IZ (functional) = 12 mm Antimicrobial activity against Candida albicans MTCC 227 at 150 ug after 48 hr by agar well diffusion method ChEMBL. No reference
Ki (binding) = 7 % Binding affinity for 5-hydroxytryptamine 3 receptor in rat cerebral cortex, determined by displacement of [3H]-GR-65,630 ChEMBL. 9685241
Ki (binding) = 7 % Binding affinity for 5-hydroxytryptamine 3 receptor in rat cerebral cortex, determined by displacement of [3H]-GR-65,630 ChEMBL. 9685241
MIC (functional) = 150 ug ml-1 Antimicrobial activity against Escherichia coli MTCC 443 by broth dilution method ChEMBL. No reference
pD2 (functional) < 5 Potency of partial agonist action given by concentration producing 50% of individual maximal contraction of isolated guinea pig ileum ChEMBL. 9685241

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

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.