Detailed information for compound 1788242

Basic information

Technical information
  • TDR Targets ID: 1788242
  • Name: 2-(2-aminoethylamino)-N,N-dimethyl-4-[[3-(tri fluoromethyl)phenyl]amino]pyrimidine-5-carbox amide
  • MW: 368.357 | Formula: C16H19F3N6O
  • H donors: 3 H acceptors: 3 LogP: 2.35 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N(C)C
  • InChi: 1S/C16H19F3N6O/c1-25(2)14(26)12-9-22-15(21-7-6-20)24-13(12)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8-9H,6-7,20H2,1-2H3,(H2,21,22,23,24)
  • InChiKey: BNEFTUWDOUEIHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-aminoethylamino)-N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens spleen tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosine protein kinase shark Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma japonicum ko:K08253 non-specific protein-tyrosine kinase [EC2.7.10.2], putative Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma japonicum ko:K05855 spleen tyrosine kinase, putative Get druggable targets OG5_131855 All targets in OG5_131855
Echinococcus granulosus tyrosine protein kinase shark Get druggable targets OG5_131855 All targets in OG5_131855
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
Entamoeba histolytica hypothetical protein 0.0102 0.3583 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.1644 0.5
Echinococcus multilocularis lamin 0.0026 0.0543 0.0525
Loa Loa (eye worm) latrophilin receptor protein 2 0.0029 0.0671 0.0914
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0651 0.0115
Echinococcus granulosus lamin 0.0026 0.0543 0.0525
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0028 0.0651 0.0115
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0029 0.0671 0.0654
Onchocerca volvulus 0.0028 0.0651 0.0137
Entamoeba histolytica hypothetical protein 0.0102 0.3583 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.1644 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0543 0.0646
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.1644 1
Onchocerca volvulus 0.0224 0.8426 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0028 0.0651 0.0634
Schistosoma mansoni hypothetical protein 0.0029 0.0671 0.0136
Brugia malayi Calcitonin receptor-like protein seb-1 0.0091 0.3137 0.4214
Brugia malayi Latrophilin receptor protein 2 0.0029 0.0671 0.0823
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0543 0.0739
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0543 0.0739
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0651 0.0115
Schistosoma mansoni transcription factor LCR-F1 0.0102 0.3583 0.3215
Echinococcus granulosus intermediate filament protein 0.0026 0.0543 0.0525
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0651 0.0115
Schistosoma mansoni hypothetical protein 0.0029 0.0671 0.0136
Echinococcus multilocularis lamin dm0 0.0026 0.0543 0.0525
Entamoeba histolytica hypothetical protein 0.0102 0.3583 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0543 0.0739
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0029 0.0671 0.0654
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.1644 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.1996 0.2717
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.1644 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0025
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0072 0.0098
Echinococcus multilocularis GPCR, family 2 0.0029 0.0671 0.0654
Schistosoma mansoni hypothetical protein 0.0102 0.3583 0.3215
Loa Loa (eye worm) hypothetical protein 0.0091 0.3137 0.4271
Trichomonas vaginalis set domain proteins, putative 0.0224 0.8426 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.061 0.0592
Echinococcus granulosus lamin dm0 0.0026 0.0543 0.0525
Brugia malayi latrophilin 2 splice variant baaae 0.0062 0.1996 0.2645
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0053 0.1644 0.5
Schistosoma mansoni hypothetical protein 0.0029 0.0671 0.0136
Brugia malayi Pre-SET motif family protein 0.0197 0.7346 1
Schistosoma mansoni hypothetical protein 0.0062 0.1996 0.1537
Brugia malayi Pre-SET motif family protein 0.0028 0.0651 0.0795
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.1644 0.1628
Echinococcus multilocularis musashi 0.0026 0.0543 0.0525
Echinococcus multilocularis tyrosine protein kinase shark 0.0264 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0524 0.0713
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.1644 0.1164
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.1644 0.1628
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.1644 0.1164
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0029 0.0671 0.0654
Brugia malayi hypothetical protein 0.0102 0.3583 0.4827
Schistosoma mansoni hypothetical protein 0.0029 0.0671 0.0136
Entamoeba histolytica hypothetical protein 0.0102 0.3583 0.5
Plasmodium vivax SET domain protein, putative 0.0028 0.0651 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0651 0.0886
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0091 0.3137 0.4271
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0091 0.3137 0.4214
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0029 0.0671 0.0654
Echinococcus granulosus GPCR family 2 0.0029 0.0671 0.0654
Echinococcus granulosus histone lysine methyltransferase setb 0.0028 0.0651 0.0634
Brugia malayi intermediate filament protein 0.0026 0.0543 0.0646
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0029 0.0671 0.0823
Loa Loa (eye worm) hypothetical protein 0.0029 0.0671 0.0914
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0102 0.3583 0.3571
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0102 0.3583 0.3571
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0028 0.0651 0.0634
Schistosoma mansoni tyrosine kinase 0.0258 0.976 0.9746
Schistosoma mansoni tyrosine kinase 0.0264 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0197 0.7346 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of spleen tyrosine kinase (unknown origin) ChEMBL. 23917087

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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