Detailed information for compound 1805413

Basic information

Technical information
  • TDR Targets ID: 1805413
  • Name: N,N'-Diethyl-6-(trifluoromethyl)-1,3,5-triazi ne-2,4-diamine
  • MW: 235.21 | Formula: C8H12F3N5
  • H donors: 2 H acceptors: 3 LogP: 2.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1nc(NCC)nc(n1)C(F)(F)F
  • InChi: 1S/C8H12F3N5/c1-3-12-6-14-5(8(9,10)11)15-7(16-6)13-4-2/h3-4H2,1-2H3,(H2,12,13,14,15,16)
  • InChiKey: VLKWQQFBFMQSNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl-[4-ethylamino-6-(trifluoromethyl)-s-triazin-2-yl]amine
  • 721-61-9
  • 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
  • 2,4-BIS(ETHYLAMINO)-6-(TRIFLUOROMETHYL)-S-TRIA*

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cichorium intybus Protoporphyrinogen IX oxidase Starlite/ChEMBL No references
Spinacia oleracea Cytochrome b6-f complex subunit 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Echinococcus multilocularis protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Candida albicans protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) Get druggable targets OG5_129066 All targets in OG5_129066
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) Get druggable targets OG5_129066 All targets in OG5_129066
Echinococcus granulosus protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor Get druggable targets OG5_129066 All targets in OG5_129066
Candida albicans protoporphyrinogen oxidase, heme biosynthesis Get druggable targets OG5_129066 All targets in OG5_129066
Schistosoma japonicum ko:K00231 protoporphyrinogen oxidase [EC1.3.3.4B], putative Get druggable targets OG5_129066 All targets in OG5_129066
Chlamydia trachomatis protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii protoporphyrinogen oxidase Protoporphyrinogen IX oxidase   555 aa 457 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0192 1 0.5
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0167 0 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0192 1 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0192 1 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0192 1 0.5
Echinococcus granulosus protoporphyrinogen oxidase 0.0167 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.35 Inhibition of photosystem-mediated photosynthetic electron transport in Scenedesmus acutus assessed as reduction of oxygen evolution ChEMBL. No reference
IC50 (binding) = 6.69 Inhibition of photosystem-mediated photosynthetic electron transport in Spinacia oleracea (spinach) leaf thylakoid assessed as reduction of oxygen evolution 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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