Detailed information for compound 1812261

Basic information

Technical information
  • TDR Targets ID: 1812261
  • Name: 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino ]ethanol
  • MW: 277.365 | Formula: C14H23N5O
  • H donors: 1 H acceptors: 3 LogP: 0.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(Cc1nn(c(c1)C)C)Cc1nn(c(c1)C)C
  • InChi: 1S/C14H23N5O/c1-11-7-13(15-17(11)3)9-19(5-6-20)10-14-8-12(2)18(4)16-14/h7-8,20H,5-6,9-10H2,1-4H3
  • InChiKey: OMKSTRPFHOHDTN-UHFFFAOYSA-N  


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Network

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Synonyms

  • 2-[bis[(1,5-dimethyl-3-pyrazolyl)methyl]amino]ethanol

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
Leishmania major ion transport protein-like protein 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Leishmania major calcium/potassium channel (CAKC), putative 0.0429 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0429 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Leishmania major potassium channel subunit-like protein 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Trypanosoma brucei calcium-activated potassium channel, putative 0.0429 0 0.5
Toxoplasma gondii ion channel protein 0.0429 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0429 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0429 0 0.5
Plasmodium falciparum potassium channel 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0429 0 0.5
Schistosoma mansoni twik family of potassium channels-related 0.7122 1 1
Loa Loa (eye worm) hypothetical protein 0.6693 0.936 0.936
Loa Loa (eye worm) hypothetical protein 0.7122 1 1
Onchocerca volvulus 0.0429 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0429 0 0.5
Leishmania major hypothetical protein, conserved 0.0429 0 0.5
Mycobacterium ulcerans ion transport protein 0.0429 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Giardia lamblia Hypothetical protein 0.0429 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0429 0 0.5
Plasmodium vivax potassium channel, putative 0.0429 0 0.5
Onchocerca volvulus 0.0429 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0429 0 0.5
Echinococcus granulosus Two pore potassium channel protein sup 9 0.7122 1 1
Plasmodium falciparum potassium channel 0.0429 0 0.5
Toxoplasma gondii ion channel protein 0.0429 0 0.5
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.7122 1 1
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0429 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0429 0 0.5
Leishmania major hypothetical protein, conserved 0.0429 0 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.0429 0 0.5
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0429 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.0429 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0429 0 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0429 0 0.5
Loa Loa (eye worm) hypothetical protein 0.7122 1 1
Plasmodium vivax potassium channel, putative 0.0429 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 68 uM Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine chloride as substrate incubated for 15 min prior to substrate addition measured for 15 min by spectrophotometric analysis ChEMBL. No reference
Inhibition (binding) Inhibition of Canavalia ensiformis (jack bean) urease using urea as substrate at 500 uM after 15 min by indophenol-based spectrophotometric analysis ChEMBL. No reference
Inhibition (binding) Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate at 500 uM incubated for 15 min prior to substrate addition measured for 15 min by spectrophotometric analysis ChEMBL. No reference
Inhibition (binding) Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate at 500 uM incubated for 30 min prior to substrate addition by spectrophotometric analysis ChEMBL. No reference
Inhibition (binding) Inhibition of Serpentes (snake) phosphodiesterase using bis(p-nitrophenyl)phosphate as substrate at 500 uM incubated for 30 min prior to substrate addition by spectrophotometric analysis ChEMBL. No reference

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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