Detailed information for compound 139714

Basic information

Technical information
  • TDR Targets ID: 139714
  • Name: 1-[5-(4-methyloxan-4-yl)-2-phenylpyrazol-3-yl ]-3-phenylurea
  • MW: 376.452 | Formula: C22H24N4O2
  • H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(nn1c1ccccc1)C1(C)CCOCC1)Nc1ccccc1
  • InChi: 1S/C22H24N4O2/c1-22(12-14-28-15-13-22)19-16-20(26(25-19)18-10-6-3-7-11-18)24-21(27)23-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H2,23,24,27)
  • InChiKey: RVLYJVVEFFSPEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-(4-methyltetrahydropyran-4-yl)-2-phenyl-pyrazol-3-yl]-3-phenyl-urea
  • 1-[5-(4-methyl-4-tetrahydropyranyl)-2-phenyl-3-pyrazolyl]-3-phenylurea
  • 1-[5-(4-methyloxan-4-yl)-2-phenyl-pyrazol-3-yl]-3-phenyl-urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 13 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 11 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
Leishmania mexicana mitogen-activated protein kinase 3, putative,map 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 11 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
Leishmania donovani mitogen-activated protein kinase 3, putative 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
Candida albicans MAP kinase involved in osmoregulation 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
Echinococcus multilocularis mitogen activated protein kinase 14 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
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 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
Brugia malayi P38 map kinase family protein 2 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
Echinococcus granulosus mitogen activated protein kinase 11 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 13 365 aa 366 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.0612 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0612 0.0702
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.8721 1
Echinococcus granulosus dna polymerase eta 0.0096 0.4601 0.4477
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.8721 0.8691
Giardia lamblia DINP protein human, muc B family 0.0041 0.0612 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0612 0.5
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.8721 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.8721 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.8721 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1115 0.1279
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.8721 0.8691
Loa Loa (eye worm) hypothetical protein 0.0096 0.4601 0.5276
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.0612 0.0396
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0612 0.0396
Brugia malayi ImpB/MucB/SamB family protein 0.0096 0.4601 0.5276
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0612 0.5
Schistosoma mansoni DNA polymerase eta 0.0096 0.4601 0.4601
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0225 0.0225
Trypanosoma brucei DNA polymerase eta, putative 0.0096 0.4601 0.4919
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0612 0.5
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.8721 1
Schistosoma mansoni hypothetical protein 0.017 1 1
Leishmania major DNA polymerase eta, putative 0.0096 0.4601 0.4919
Trypanosoma cruzi DNA polymerase eta, putative 0.0096 0.4601 0.4919
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.8721 0.8691
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1115 0.1279
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0612 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.8721 0.8691
Echinococcus multilocularis geminin 0.017 1 1
Echinococcus granulosus dna polymerase kappa 0.0041 0.0612 0.0396
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0612 0.5
Brugia malayi hypothetical protein 0.0036 0.0225 0.0258
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.2517 0.2349
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1115 0.1279
Echinococcus multilocularis dna polymerase eta 0.0096 0.4601 0.4477
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.0612 1
Schistosoma mansoni hypothetical protein 0.017 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.0225 0.0225
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.0612 0.0396
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.8721 0.8691
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.0612 0.0612
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.0612 0.0702
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0067 0.2517 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1115 0.1279
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0612 0.0612
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.8721 0.8691
Leishmania major DNA polymerase eta, putative 0.0067 0.2517 0.2349
Brugia malayi P38 map kinase family protein 2 0.0152 0.8721 1

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 280 nM Evaluated for inhibition of human mitogen-activated protein kinase p38 ChEMBL. 15115396
Kd (binding) = 280 nM Binding affinity for human recombinant Mitogen-activated protein kinase p38 in a fluorescent binding assay ChEMBL. 12086485
Kd (binding) = 280 nM Evaluated for inhibition of human mitogen-activated protein kinase p38 ChEMBL. 15115396
Kd (binding) = 280 nM Binding affinity for human recombinant Mitogen-activated protein kinase p38 in a fluorescent binding assay ChEMBL. 12086485

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

2 literature references were collected for this gene.

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