Detailed information for compound 1475355

Basic information

Technical information
  • TDR Targets ID: 1475355
  • Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl ]-[3-methyl-1-(phenylmethyl)thieno[4,5-d]pyra zol-5-yl]methanone
  • MW: 474.575 | Formula: C26H26N4O3S
  • H donors: 0 H acceptors: 2 LogP: 4.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(s1)n(nc2C)Cc1ccccc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C26H26N4O3S/c1-18-21-14-24(34-26(21)30(27-18)16-19-5-3-2-4-6-19)25(31)29-11-9-28(10-12-29)15-20-7-8-22-23(13-20)33-17-32-22/h2-8,13-14H,9-12,15-17H2,1H3
  • InChiKey: IKPJTPLLLHKJLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-methyl-1-(phenylmethyl)-5-thieno[4,5-d]pyrazolyl]methanone
  • [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(benzyl)-3-methyl-thieno[4,5-d]pyrazol-5-yl]methanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi intracellular kinase 0.1742 0.2659 0.3615
Trypanosoma brucei telomerase reverse transcriptase 0.1706 0.2601 0.9775
Giardia lamblia Kinase, CMGC GSK 0.1742 0.2659 1
Echinococcus multilocularis protein kinase shaggy 0.1742 0.2659 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0469 0.0586 0.1972
Brugia malayi Telomerase reverse transcriptase 0.454 0.722 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.1742 0.2659 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0469 0.0586 0.2041
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.1123 0.344
Plasmodium falciparum glycogen synthase kinase 3 0.1742 0.2659 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0157 0.0077 0.0087
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0469 0.0586 0.1972
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.1742 0.2659 1
Trichomonas vaginalis CMGC family protein kinase 0.1742 0.2659 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.1742 0.2659 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0456 0.0563 0.1884
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0304 0.0317 0.0335
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1706 0.2601 0.9777
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0374 0.043 0.1366
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1742 0.2659 1
Entamoeba histolytica hypothetical protein 0.0374 0.043 0.1366
Entamoeba histolytica protein kinase domain containing protein 0.1742 0.2659 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.0317 0.1007
Echinococcus granulosus protein kinase shaggy 0.1742 0.2659 1
Entamoeba histolytica protein kinase, putative 0.1742 0.2659 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.1742 0.2659 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.1742 0.2659 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.1742 0.2659 1
Giardia lamblia Telomerase catalytic subunit 0.1706 0.2601 0.9782
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0208 0.016 0.0323
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0322 0.0347 0.1044
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.1742 0.2659 1
Trypanosoma brucei protein kinase, putative 0.1742 0.2659 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0322 0.0347 0.1044
Trichomonas vaginalis CMGC family protein kinase 0.1742 0.2659 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1706 0.2601 0.9777
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0227 0.019 0.0716
Entamoeba histolytica protein kinase domain containing protein 0.1742 0.2659 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0469 0.0586 0.1972
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0469 0.0586 0.2041
Loa Loa (eye worm) phosphatidylinositol 3 0.0374 0.043 0.1442
Loa Loa (eye worm) hypothetical protein 0.0165 0.0091 0.0139
Giardia lamblia Kinase, CMGC GSK 0.1742 0.2659 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0469 0.0586 0.1972
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0469 0.0586 0.1972
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0469 0.0586 0.1151
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1742 0.2659 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0469 0.0586 0.1151
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0469 0.0586 0.0713

Activities

No activities found for this compound.

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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