Detailed information for compound 460270

Basic information

Technical information
  • TDR Targets ID: 460270
  • Name: 1-[2-(2,5-difluorophenyl)-4-(3-morpholin-4-yl propyl)-4-phenyl-3H-pyrazol-5-yl]ethanone
  • MW: 427.487 | Formula: C24H27F2N3O2
  • H donors: 0 H acceptors: 1 LogP: 3.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)N1N=C(C(C1)(CCCN1CCOCC1)c1ccccc1)C(=O)C)F
  • InChi: 1S/C24H27F2N3O2/c1-18(30)23-24(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)17-29(27-23)22-16-20(25)8-9-21(22)26/h2-4,6-9,16H,5,10-15,17H2,1H3
  • InChiKey: ASSAXYGADPLJMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(2,5-difluorophenyl)-4-(3-morpholinopropyl)-4-phenyl-3H-pyrazol-5-yl]ethanone
  • 1-[1-(2,5-difluorophenyl)-4-(3-morpholinopropyl)-4-phenyl-2-pyrazolin-3-yl]ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
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
Plasmodium vivax kinesin-5 0.0032 0.0213 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0254 0.0994
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0254 0.0856
Echinococcus multilocularis chromobox protein 1 0.0069 0.0678 0.0678
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0293 0.2714
Brugia malayi Heterochromatin protein 1 0.0069 0.0678 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0254 0.0254
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0678 1
Echinococcus multilocularis geminin 0.0167 0.1933 0.1933
Brugia malayi chromobox protein homolog 3 0.0038 0.0293 0.4319
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0429 0.6323
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0213 0.5
Schistosoma mansoni chromobox protein 0.0069 0.0678 0.2652
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0293 0.2714
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0254 0.0994
Loa Loa (eye worm) hypothetical protein 0.003 0.0187 0.2754
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0429 0.6323
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.023 0.3396
Trichomonas vaginalis chromobox protein, putative 0.0041 0.033 0.3419
Entamoeba histolytica hypothetical protein 0.0035 0.0254 1
Schistosoma mansoni hypothetical protein 0.0034 0.023 0.0901
Schistosoma mansoni hypothetical protein 0.0215 0.2556 1
Giardia lamblia Kinesin-5 0.0032 0.0213 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0429 0.6323
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0213 0.314
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.033 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.4319
Echinococcus multilocularis kinesin family 1 0.0247 0.2967 0.2967
Entamoeba histolytica hypothetical protein 0.0035 0.0254 1
Brugia malayi hypothetical protein 0.0035 0.0254 0.3749
Trichomonas vaginalis chromobox protein, putative 0.0041 0.033 0.3419
Schistosoma mansoni chromobox protein 0.0069 0.0678 0.2652
Schistosoma mansoni kinesin eg-5 0.0032 0.0213 0.0833
Entamoeba histolytica hypothetical protein 0.0035 0.0254 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0429 0.6323
Plasmodium falciparum kinesin-5 0.0032 0.0213 0.5
Schistosoma mansoni hypothetical protein 0.0167 0.1933 0.7562
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0213 0.314
Entamoeba histolytica hypothetical protein 0.0035 0.0254 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.0678 0.0678
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0293 0.7399
Loa Loa (eye worm) hypothetical protein 0.0034 0.023 0.3396
Echinococcus granulosus chromobox protein 1 0.0069 0.0678 0.2285
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0678 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0678 1
Echinococcus granulosus kinesin family 1 0.0247 0.2967 1
Echinococcus granulosus chromobox protein 1 0.0069 0.0678 0.2285
Echinococcus granulosus geminin 0.0167 0.1933 0.6514
Schistosoma mansoni hypothetical protein 0.0167 0.1933 0.7562

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 53 nM Inhibition of KSP-induced nucleolin phosphorylation in cell-based mitotic arrest assay ChEMBL. 17766111
EC50 (functional) = 53 nM Inhibition of KSP-induced nucleolin phosphorylation in cell-based mitotic arrest assay ChEMBL. 17766111
IC50 (binding) = 4.2 nM Inhibition of kinesin spindle protein by ATPase assay ChEMBL. 17766111
IC50 (binding) = 4.2 nM Inhibition of kinesin spindle protein by ATPase assay ChEMBL. 17766111

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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