Detailed information for compound 1539737

Basic information

Technical information
  • TDR Targets ID: 1539737
  • Name: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylide neamino]benzoate
  • MW: 285.301 | Formula: C14H15N5O2
  • H donors: 2 H acceptors: 3 LogP: 1.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)N=Cc1cnc(nc1N)N
  • InChi: 1S/C14H15N5O2/c1-2-21-13(20)9-3-5-11(6-4-9)17-7-10-8-18-14(16)19-12(10)15/h3-8H,2H2,1H3,(H4,15,16,18,19)
  • InChiKey: LPRPVWGPCMQLIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyleneamino]benzoate
  • 4-[(2,4-diamino-5-pyrimidinyl)methyleneamino]benzoic acid ethyl ester
  • 4-[(2,4-diaminopyrimidin-5-yl)methyleneamino]benzoic acid ethyl ester
  • 20781-07-1
  • NSC111560

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No 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
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0595 0.9856 1
Schistosoma mansoni hypothetical protein 0.0181 0.208 0.208
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0595 0.9856 0.9856
Trypanosoma cruzi polo-like protein kinase, putative 0.0595 0.9856 0.5
Schistosoma mansoni kinase 0.0303 0.4355 0.4355
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Echinococcus multilocularis tar DNA binding protein 0.0603 1 1
Echinococcus multilocularis GPCR, family 2 0.0181 0.208 0.208
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0574 0.9448 0.9304
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Loa Loa (eye worm) hypothetical protein 0.0392 0.6038 0.4997
Brugia malayi TAR-binding protein 0.0603 1 1
Loa Loa (eye worm) RNA binding protein 0.0603 1 1
Schistosoma mansoni tar DNA-binding protein 0.0603 1 1
Schistosoma mansoni hypothetical protein 0.0392 0.6038 0.6038
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0603 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0392 0.6038 0.4997
Brugia malayi Calcitonin receptor-like protein seb-1 0.0574 0.9448 0.9304
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0595 0.9856 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0181 0.208 0.208
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0595 0.9856 0.9819
Schistosoma mansoni hypothetical protein 0.0181 0.208 0.208
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0268 0.3709 1
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0574 0.9448 0.9304
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0 0.5
Schistosoma mansoni hypothetical protein 0.0181 0.208 0.208
Schistosoma mansoni tar DNA-binding protein 0.0603 1 1
Schistosoma mansoni tar DNA-binding protein 0.0603 1 1
Echinococcus granulosus GPCR family 2 0.0181 0.208 0.208
Echinococcus granulosus tar DNA binding protein 0.0603 1 1
Schistosoma mansoni tar DNA-binding protein 0.0603 1 1
Giardia lamblia Kinase, PLK 0.0595 0.9856 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0595 0.9856 0.9856
Schistosoma mansoni tar DNA-binding protein 0.0603 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0181 0.208 0.208
Trypanosoma cruzi polo-like protein kinase, putative 0.0595 0.9856 0.5
Loa Loa (eye worm) TAR-binding protein 0.0603 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Trypanosoma brucei polo-like protein kinase 0.0595 0.9856 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0181 0.208 0.208
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0595 0.9856 0.9856
Loa Loa (eye worm) hypothetical protein 0.0574 0.9448 0.9304
Trichomonas vaginalis CAMK family protein kinase 0.0595 0.9856 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0181 0.208 0.208
Onchocerca volvulus Serine\/threonine kinase homolog 0.0595 0.9856 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0595 0.9856 0.9819
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0603 1 1
Schistosoma mansoni hypothetical protein 0.0181 0.208 0.208

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8888 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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