Detailed information for compound 55389

Basic information

Technical information
  • TDR Targets ID: 55389
  • Name: 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[4-(p yridin-4-ylmethoxy)phenyl]urea
  • MW: 379.456 | Formula: C21H25N5O2
  • H donors: 2 H acceptors: 3 LogP: 3.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)OCc1ccncc1
  • InChi: 1S/C21H25N5O2/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-5-7-17(8-6-16)28-14-15-9-11-22-12-10-15/h5-13H,14H2,1-4H3,(H2,23,24,27)
  • InChiKey: BGFQKFPVUBNMHL-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-(4-pyridylmethoxy)phenyl]urea
  • 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-[4-(4-pyridylmethoxy)phenyl]urea
  • 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethoxy)phenyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610

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 14 360 aa 336 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0029 0.1332 0.1332
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 1 1
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0029 0.1332 0.6725
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0103 0.654 1
Leishmania major asparaginyl-tRNA synthetase, putative 0.0021 0.0781 0.0781
Brugia malayi glutaminyl-tRNA synthetase 0.0075 0.4594 0.4594
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0029 0.1332 0.1332
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0029 0.1332 0.2037
Schistosoma mansoni isoleucine--tRNA ligase 0.0029 0.1332 0.4323
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0029 0.1332 0.1332
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0113 0.7272 1
Treponema pallidum isoleucyl-tRNA synthetase 0.0029 0.1332 1
Trypanosoma cruzi glutaminyl-tRNA synthetase, putative 0.0017 0.0469 0.0469
Schistosoma mansoni isoleucine--tRNA ligase 0.0029 0.1332 0.4323
Trypanosoma cruzi asparaginyl-tRNA synthetase, putative 0.0021 0.0781 0.0781
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0023 0.0893 0.0893
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0103 0.654 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1332 0.1332
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 1 1
Giardia lamblia Glutaminyl-tRNA synthetase 0.0038 0.1981 1
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.0038 0.1981 1
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0103 0.654 1
Onchocerca volvulus 0.0023 0.0893 1
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0103 0.654 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 1 1
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0023 0.0893 0.0893
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0103 0.654 1
Mycobacterium tuberculosis Possible DNA glycosylase 0.0103 0.654 1
Trypanosoma brucei glutaminyl-tRNA synthetase, putative 0.0017 0.0469 0.0469
Chlamydia trachomatis isoleucine--tRNA ligase 0.0029 0.1332 1
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0029 0.1332 0.2037
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0019 0.0601 0.0918
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 1 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 1 1
Trypanosoma brucei asparaginyl-tRNA synthetase, putative 0.0021 0.0781 0.0781
Plasmodium vivax glutamine--tRNA ligase, putative 0.0017 0.0469 0.3519
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 1 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 1 1
Toxoplasma gondii glutaminyl-tRNA synthetase (GlnRS) 0.0017 0.0469 0.3519
Leishmania major glutaminyl-tRNA synthetase, putative 0.0017 0.0469 0.0469
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0029 0.1332 0.1332
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 1 1
Giardia lamblia Isoleucyl-tRNA synthetase 0.0029 0.1332 0.6725
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0029 0.1332 0.1332
Entamoeba histolytica glutaminyl-tRNA synthetase, putative 0.0038 0.1981 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0893 0.0893
Leishmania major isoleucyl-tRNA synthetase, putative 0.0029 0.1332 0.1332
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 1 1
Echinococcus granulosus glutaminyl tRNA synthetase 0.0054 0.3082 0.3082
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0029 0.1332 0.2037
Brugia malayi isoleucyl-tRNA synthetase 0.0029 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0031 0.1467 0.1467
Schistosoma mansoni glutaminyl-tRNA synthetase (glutamine--tRNA ligase) (glnrs) 0.0054 0.3082 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 1 1
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0029 0.1332 0.1332
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0029 0.1332 1
Echinococcus multilocularis glutaminyl tRNA synthetase 0.0054 0.3082 0.3082
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0029 0.1332 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 1 1
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0029 0.1332 0.1832
Loa Loa (eye worm) glutaminyl-tRNA synthetase 0.0075 0.4594 0.4594
Plasmodium falciparum glutamine--tRNA ligase, putative 0.0017 0.0469 0.0645
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0029 0.1332 0.6725

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 260 nM Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 ChEMBL. 12039561
IC50 (binding) = 260 nM Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 ChEMBL. 12039561

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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