Detailed information for compound 226803

Basic information

Technical information
  • TDR Targets ID: 226803
  • Name: N-[2-(2H-benzotriazol-5-yl)ethyl]-N-propylpro pan-1-amine
  • MW: 246.351 | Formula: C14H22N4
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(CCc1ccc2c(c1)nn[nH]2)CCC
  • InChi: 1S/C14H22N4/c1-3-8-18(9-4-2)10-7-12-5-6-13-14(11-12)16-17-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,16,17)
  • InChiKey: FDQPYJACWKLJIS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2H-benzotriazol-5-yl)ethyl]-N-propyl-propan-1-amine
  • N-[2-(2H-benzotriazol-5-yl)ethyl]-N-propyl-1-propanamine
  • 2-(2H-benzotriazol-5-yl)ethyl-dipropyl-amine

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 dihydrofolate reductase-thymidylate synthase 0.1643 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1435 0.7328 1
Echinococcus granulosus thymidylate synthase 0.1167 0.3885 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1167 0.3885 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1643 1 1
Brugia malayi thymidylate synthase 0.1167 0.3885 0.5301
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1167 0.3885 0.5
Mycobacterium ulcerans thymidylate synthase 0.1167 0.3885 0.5
Loa Loa (eye worm) hypothetical protein 0.1435 0.7328 1
Onchocerca volvulus 0.1435 0.7328 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1435 0.7328 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1643 1 1
Echinococcus multilocularis thymidylate synthase 0.1167 0.3885 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1643 1 0.5
Brugia malayi Trypsin family protein 0.1435 0.7328 1
Onchocerca volvulus 0.1167 0.3885 0.5301
Onchocerca volvulus 0.0957 0.1183 0.1615
Loa Loa (eye worm) hypothetical protein 0.1435 0.7328 1
Loa Loa (eye worm) thymidylate synthase 0.1167 0.3885 0.5301
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1643 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1167 0.3885 0.5301

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 uM Compound was evaluated in vitro for its binding affinity towards Dopamine D2 receptor using [3H]-spiperone as radioligand ChEMBL. No reference
IC50 (binding) = 50 uM Compound was evaluated in vitro for its binding affinity towards Dopamine D2 receptor using [3H]-spiperone as radioligand ChEMBL. No reference
IC50 (binding) > 100 uM Compound was evaluated in vitro for its binding affinity towards Dopamine D1 receptor using [3H]-SCH- 23390 as radioligand ChEMBL. No reference
IC50 (binding) > 100 uM Compound was evaluated in vitro for its binding affinity towards Dopamine D1 receptor using [3H]-SCH- 23390 as radioligand 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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