Detailed information for compound 1002808

Basic information

Technical information
  • TDR Targets ID: 1002808
  • Name: 6-[2-[(E)-2-phenylethenyl]pyridin-4-yl]-1,7-d ihydropyrrolo[3,2-e]pyrimidin-4-one
  • MW: 314.341 | Formula: C19H14N4O
  • H donors: 2 H acceptors: 2 LogP: 2.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]cnc2c1cc([nH]2)c1ccnc(c1)/C=C/c1ccccc1
  • InChi: 1S/C19H14N4O/c24-19-16-11-17(23-18(16)21-12-22-19)14-8-9-20-15(10-14)7-6-13-4-2-1-3-5-13/h1-12H,(H2,21,22,23,24)/b7-6+
  • InChiKey: OKXVXSCOVXIJDR-VOTSOKGWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[2-[(E)-2-phenylvinyl]-4-pyridyl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi PHD-finger family protein 0.0029 0.0214 0.0214
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0158 0.0395
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.003 0.0075
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0798 0.0798
Echinococcus multilocularis Protein lozenge 0.0065 0.0931 0.2322
Brugia malayi Bromodomain containing protein 0.0045 0.0527 0.0527
Brugia malayi Bromodomain containing protein 0.0087 0.1387 0.1387
Echinococcus granulosus zinc finger protein 0.0023 0.0089 0.0222
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.4011 1
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0217 0.4011 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0584 0.0584
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0472 0.1176
Onchocerca volvulus 0.0515 1 0.5
Brugia malayi MH2 domain containing protein 0.0139 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0082 0.1286 0.1286
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.1028 0.2564
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.003
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.003 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0798 0.0798
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0114 0.0114
Schistosoma mansoni lozenge 0.0065 0.0931 0.2322
Loa Loa (eye worm) hypothetical protein 0.0515 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.2426 0.2426
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0217 0.4011 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.003 0.0075
Loa Loa (eye worm) runx1 0.0065 0.0931 0.0931
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.2426 0.2426
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0798 0.0798
Loa Loa (eye worm) hypothetical protein 0.005 0.0629 0.0629
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.003 0.0075
Schistosoma mansoni hypothetical protein 0.0024 0.0114 0.0284
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.003 0.0075
Loa Loa (eye worm) hypothetical protein 0.0515 1 1
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0217 0.4011 0.4011
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.003 0.0075
Brugia malayi map kinase activated protein kinase protein 2 0.0217 0.4011 0.4011
Schistosoma mansoni zinc finger protein 0.0023 0.0089 0.0222
Schistosoma mansoni bromodomain containing protein 0.0074 0.1112 0.2773
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.1028 0.2564
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.003 0.0075
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0472 0.1176
Loa Loa (eye worm) hypothetical protein 0.0045 0.0529 0.0529
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0158 0.0395
Loa Loa (eye worm) hypothetical protein 0.004 0.0429 0.0429
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0044 0.0044
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0058 0.0798 0.0798
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0158 0.0395
Schistosoma mansoni hypothetical protein 0.004 0.0429 0.1068
Echinococcus multilocularis zinc finger protein 0.0023 0.0089 0.0222
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.003 0.0075

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.17 uM Inhibition of human MK2 ChEMBL. 18945615
IC50 (functional) = 2.3 uM Inhibition of LPS-stimulated TNFalpha release from human PBMC after 3 hrs ChEMBL. 18945615

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18945615

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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