TDR Targets

Basic information

Technical information

TDR Targets ID: 759747
Name: N-[4-[7-(4-chlorophenyl)-2-(3-hydroxypropyl)- 1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5 -yl]phenyl]acetamide
MW: 423.895 | Formula: C22H22ClN5O2
H donors: 3 H acceptors: 4 LogP: 3.53 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCCc1nn2c(n1)NC(=CC2c1ccc(cc1)Cl)c1ccc(cc1)NC(=O)C
InChi: 1S/C22H22ClN5O2/c1-14(30)24-18-10-6-15(7-11-18)19-13-20(16-4-8-17(23)9-5-16)28-22(25-19)26-21(27-28)3-2-12-29/h4-11,13,20,29H,2-3,12H2,1H3,(H,24,30)(H,25,26,27)
InChiKey: XGETVWHZJALGQQ-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

N-[4-[7-(4-chlorophenyl)-2-(3-hydroxypropyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]ethanamide
T5227112

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	quiescin q6-related sulfhydryl oxidase	0.0016	0.0031	0.0031
Brugia malayi	Erv1 / Alr family protein	0.0016	0.0031	0.0046
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0103	0.271	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	0.5
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0338	0.0338
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.1867	0.1867
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0663	0.0663
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	0.6854
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0969	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0323	0.0488
Loa Loa (eye worm)	hepatopoietin HPO2	0.0103	0.271	0.4101
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0338	0.0511
Loa Loa (eye worm)	Erv1/Alr family protein	0.0016	0.0031	0.0046
Brugia malayi	intermediate filament protein	0.0026	0.0338	0.0511
Onchocerca volvulus		0.0026	0.0338	0.327
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0972	0.1471
Echinococcus multilocularis	lamin dm0	0.0026	0.0338	0.0338
Brugia malayi	quiescin Q6	0.0016	0.0031	0.0046
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.106	0.106
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0552	0.0835
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1028	0.1555
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0103	0.271	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.1867	0.1867
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0663	0.0663
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0103	0.271	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1028	0.1555
Entamoeba histolytica	hypothetical protein	0.0037	0.0663	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	1
Onchocerca volvulus		0.0026	0.0338	0.327
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.1867	0.1867
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1343	0.1343
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.1343	0.49
Entamoeba histolytica	hypothetical protein	0.0037	0.0663	0.5
Echinococcus granulosus	lamin	0.0026	0.0338	0.0338
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0972	0.0972
Echinococcus multilocularis	geminin	0.034	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.1343	0.1343
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0972	0.0972
Schistosoma mansoni	lamin	0.0026	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.023	0.6609	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0972	0.0972
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.1343	0.1343
Echinococcus granulosus	sulfhydryl oxidase 1	0.0016	0.0031	0.0031
Entamoeba histolytica	hypothetical protein	0.0037	0.0663	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0972	0.0972
Entamoeba histolytica	hypothetical protein	0.0037	0.0663	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0103	0.271	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0972	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0338	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0031	0.0046
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.6609	0.6609
Leishmania major	hypothetical protein, conserved	0.0103	0.271	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0972	0.1471
Loa Loa (eye worm)	quiescin Q6	0.0016	0.0031	0.0046
Schistosoma mansoni	hypothetical protein	0.0037	0.0663	0.0663
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0972	0.0972
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1028	0.1555
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.1867	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0338	0.0511
Echinococcus multilocularis	lamin	0.0026	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1028	0.1555
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1343	0.1343
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0331	0.1122
Schistosoma mansoni	hypothetical protein	0.0033	0.0552	0.0552
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0103	0.271	1
Schistosoma mansoni	lamin	0.0026	0.0338	0.0338
Echinococcus multilocularis	musashi	0.0026	0.0338	0.0338
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0103	0.271	0.271
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.1867	0.6854
Toxoplasma gondii	Erv1 / Alr family protein	0.0103	0.271	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0031	0.0046
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.1343	1
Brugia malayi	hypothetical protein	0.0037	0.0663	0.1004
Echinococcus granulosus	lamin dm0	0.0026	0.0338	0.0338
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.1867	0.6854
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.106	0.4744
Toxoplasma gondii	hypothetical protein	0.0026	0.0331	0.1122
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.6609	0.6609
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0331	0.1122
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.106	0.106
Schistosoma mansoni	hypothetical protein	0.034	1	1
Brugia malayi	Probable ClpP-like protease	0.0076	0.1867	0.2825
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1867	0.2825
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0338	0.0511
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1867	0.5
Echinococcus granulosus	intermediate filament protein	0.0026	0.0338	0.0338
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0969	0.1467
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0663	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0552	0.0835
Schistosoma mansoni	hypothetical protein	0.0047	0.0969	0.0969
Brugia malayi	hypothetical protein	0.023	0.6609	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0972	0.0972
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0103	0.271	0.271
Schistosoma mansoni	hypothetical protein	0.034	1	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.1867	0.6854
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0103	0.271	1
Onchocerca volvulus		0.0047	0.0969	1
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0103	0.271	1
Brugia malayi	Augmenter of liver regeneration	0.0103	0.271	0.4101
Echinococcus multilocularis	sulfhydryl oxidase 1	0.0016	0.0031	0.0031

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 759747