Detailed information for compound 1566661

Basic information

Technical information
  • TDR Targets ID: 1566661
  • Name: 4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[5,1 -b]benzimidazole
  • MW: 269.345 | Formula: C15H19N5
  • H donors: 0 H acceptors: 2 LogP: 2.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)CCn1c2ncnn2c2c1cccc2
  • InChi: 1S/C15H19N5/c1-4-8-18(9-5-1)10-11-19-13-6-2-3-7-14(13)20-15(19)16-12-17-20/h2-3,6-7,12H,1,4-5,8-11H2
  • InChiKey: MMWJPRSBOSCWBE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-(1-piperidyl)ethyl]-[1,2,4]triazolo[5,1-b]benzimidazole
  • 4-(2-piperidinoethyl)-[1,2,4]triazolo[5,1-b]benzimidazole
  • Oprea1_333405

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H1 Starlite/ChEMBL References

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
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1178 0.4469 1
Schistosoma mansoni hypothetical protein 0.0983 0.3602 0.3602
Trypanosoma brucei carbonic anhydrase-like protein 0.2417 1 0.5
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0339 0.0726 0.003
Echinococcus granulosus carbonic anhydrase 0.0983 0.3602 0.3122
Echinococcus multilocularis alkaline phosphatase 0.0339 0.0726 0.003
Echinococcus multilocularis carbonic anhydrase 0.0983 0.3602 0.3122
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0641 0.2074 0.5578
Onchocerca volvulus 0.0202 0.0117 0.5
Loa Loa (eye worm) hypothetical protein 0.1569 0.6216 0.4085
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0771 0.2653 0.7358
Mycobacterium ulcerans carbonic anhydrase 0.15 0.5909 1
Toxoplasma gondii hypothetical protein 0.0983 0.3602 0.5
Plasmodium falciparum carbonic anhydrase 0.0983 0.3602 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2417 1 0.5
Schistosoma mansoni carbonic anhydrase 0.1178 0.4469 0.4469
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0963 0.3514 1
Schistosoma mansoni alkaline phosphatase 0.0339 0.0726 0.0726
Schistosoma mansoni carbonic anhydrase-related 0.0983 0.3602 0.3602
Entamoeba histolytica carbonic anhydrase, putative 0.1178 0.4469 0.5
Trichomonas vaginalis conserved hypothetical protein 0.15 0.5909 0.5
Leishmania major carbonic anhydrase-like protein 0.2417 1 1
Trichomonas vaginalis conserved hypothetical protein 0.15 0.5909 0.5
Echinococcus multilocularis carbonic anhydrase II 0.2417 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2417 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2417 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2417 1 1
Echinococcus granulosus intestinal type alkaline phosphatase 0.0339 0.0726 0.003
Echinococcus multilocularis carbonic anhydrase 0.0983 0.3602 0.3122
Echinococcus granulosus alkaline phosphatase 0.0339 0.0726 0.003
Schistosoma mansoni carbonic anhydrase-related 0.0983 0.3602 0.3602
Echinococcus granulosus carbonic anhydrase 0.0983 0.3602 0.3122
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0339 0.0726 0.003
Loa Loa (eye worm) carbonic anhydrase 3 0.2417 1 1
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0339 0.0726 0.003
Echinococcus granulosus carbonic anhydrase 0.0983 0.3602 0.3122
Schistosoma mansoni carbonic anhydrase-related 0.0983 0.3602 0.3602
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0339 0.0726 0.003
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2417 1 1
Schistosoma mansoni hypothetical protein 0.0332 0.0698 0.0698
Schistosoma mansoni alkaline phosphatase 0.0339 0.0726 0.0726
Echinococcus multilocularis carbonic anhydrase 0.0983 0.3602 0.3122
Schistosoma mansoni carbonic anhydrase 0.0983 0.3602 0.3602
Onchocerca volvulus Putative sulfate transporter 0.0202 0.0117 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2417 1 1
Schistosoma mansoni hypothetical protein 0.0332 0.0698 0.0698
Echinococcus granulosus carbonic anhydrase II 0.2417 1 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0339 0.0726 0.003

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.38 Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting ChEMBL. 22007643

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.

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