TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 337.416 | Formula: C20H23N3O2
H donors: 0 H acceptors: 2 LogP: 2.95 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc2c(n1CCCOC1CCC(O1)c1ccccc1)ccnc2
InChi: 1S/C20H23N3O2/c1-15-22-17-14-21-11-10-18(17)23(15)12-5-13-24-20-9-8-19(25-20)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,19-20H,5,8-9,12-13H2,1H3
InChiKey: RFTRIPDMNMTLEZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	platelet-activating factor receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	g-protein coupled receptor	platelet-activating factor receptor	342 aa	302 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	endoplasmin	0.0173	0.0599	0.0517
Trypanosoma cruzi	heat shock protein 90, putative	0.0173	0.0599	0.1647
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0119	0.0271	0.0187
Plasmodium falciparum	heat shock protein 90	0.0217	0.0869	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0119	0.0271	0.0594
Leishmania major	hypothetical protein, conserved	0.0621	0.334	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Mycobacterium ulcerans	heat shock protein 90	0.0173	0.0599	0.5
Entamoeba histolytica	heat shock protein 90, putative	0.0217	0.0869	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Loa Loa (eye worm)	phosphatidylinositol 3	0.0119	0.0271	0.3115
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.0271	0.2361
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0119	0.0271	0.2361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	endoplasmin, putative	0.0133	0.0356	0.4097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.0086	0.0988
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	heat shock protein, putative	0.0173	0.0599	0.689
Echinococcus granulosus	endoplasmin	0.0173	0.0599	0.0517
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0119	0.0271	0.3115
Schistosoma mansoni	heat shock protein	0.0217	0.0869	1
Loa Loa (eye worm)	endoplasmin	0.0217	0.0869	1
Echinococcus granulosus	heat shock protein 90	0.0217	0.0869	0.079
Trypanosoma brucei	heat shock protein 90, putative	0.0217	0.0869	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trypanosoma cruzi	heat shock protein 85, putative	0.0173	0.0599	0.1647
Treponema pallidum	heat shock protein 90	0.0173	0.0599	0.5
Trypanosoma cruzi	heat shock protein 85, putative	0.0217	0.0869	0.2515
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0119	0.0271	0.0568
Entamoeba histolytica	heat shock protein 90, putative	0.0217	0.0869	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0217	0.0869	0.2515
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0119	0.0271	0.0568
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.0271	0.2361
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0217	0.0869	1
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0119	0.0271	0.0568
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0119	0.0271	0.0568
Toxoplasma gondii	heat shock protein HSP90	0.0217	0.0869	1
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Trypanosoma cruzi	heat shock protein 90, putative	0.0217	0.0869	0.2515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Plasmodium vivax	endoplasmin, putative	0.0217	0.0869	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.0568
Trypanosoma cruzi	target of rapamycin kinase 3	0.0119	0.0271	0.0594
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0119	0.0271	0.3115
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0173	0.0599	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trypanosoma cruzi	heat shock protein 85, putative	0.0217	0.0869	0.2515
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0173	0.0599	0.5483
Trichomonas vaginalis	heat shock protein, putative	0.0173	0.0599	0.689
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1709	1	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0119	0.0271	0.2361
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0119	0.0271	0.0594
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trypanosoma cruzi	heat shock protein 90, putative	0.0128	0.0325	0.0769
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Echinococcus granulosus	heat shock protein 90	0.0173	0.0599	0.0517
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trypanosoma brucei	heat shock protein 90, putative	0.0217	0.0869	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0173	0.0599	0.5
Plasmodium vivax	heat shock protein 86, putative	0.0217	0.0869	1
Trichomonas vaginalis	heat shock protein, putative	0.0133	0.0356	0.4097
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Schistosoma mansoni	endoplasmin	0.0217	0.0869	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Loa Loa (eye worm)	heat shock protein 75	0.0089	0.0086	0.0988
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.0594
Toxoplasma gondii	heat shock protein 90, putative	0.0217	0.0869	1
Echinococcus granulosus	heat shock protein	0.0217	0.0869	0.079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trypanosoma brucei	Heat shock protein 83, putative	0.0217	0.0869	1
Echinococcus multilocularis	heat shock protein	0.0217	0.0869	0.079
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0119	0.0271	0.0187
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0119	0.0271	0.2361
Schistosoma mansoni	endoplasmin	0.0217	0.0869	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0119	0.0271	0.0187
Brugia malayi	heat shock protein 90	0.0217	0.0869	1
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Toxoplasma gondii	Hsp90 domain-containing protein	0.0089	0.0086	0.0988
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Toxoplasma gondii	heat shock protein 75, putative	0.0089	0.0086	0.0988
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0119	0.0271	0.2361
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0119	0.0271	0.0187
Trichomonas vaginalis	heat shock protein, putative	0.0217	0.0869	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0089	0.0086	0.5
Schistosoma mansoni	heat shock protein	0.0217	0.0869	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0119	0.0271	0.3115
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Loa Loa (eye worm)	heat shock protein 90	0.0217	0.0869	1
Trypanosoma brucei	heat shock protein 84, putative	0.0089	0.0086	0.0988
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Brugia malayi	Endoplasmin precursor	0.0217	0.0869	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0173	0.0599	0.1576
Plasmodium falciparum	endoplasmin, putative	0.0133	0.0356	0.345
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trypanosoma brucei	heat shock protein, putative	0.0217	0.0869	1
Echinococcus multilocularis	heat shock protein 90	0.0217	0.0869	0.079
Echinococcus multilocularis	heat shock protein 90	0.0173	0.0599	0.0517
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Trichomonas vaginalis	heat shock protein, putative	0.0173	0.0599	0.689
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Giardia lamblia	Grp94/Hsp90	0.0173	0.0599	0.5483
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.0594
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0173	0.0599	0.0517
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0119	0.0271	0.3115
Trypanosoma cruzi	heat shock protein 85, putative	0.0217	0.0869	0.2515
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0173	0.0599	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115
Leishmania major	heat shock protein 83-1	0.0217	0.0869	0.2407
Trypanosoma cruzi	hypothetical protein, conserved	0.0598	0.32	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3115

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 190 nM	Inhibition of [3H]-PAF receptor binding to washed human platelet membranes determined in vitro	ChEMBL.	No reference
IC50 (binding)	= 190 nM	Inhibition of [3H]-PAF receptor binding to washed human platelet membranes determined in vitro	ChEMBL.	No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 52278