TDR Targets

Basic information

Technical information

TDR Targets ID: 620448
Name: 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4 -(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl ]-N-(2-fluorophenyl)acetamide
MW: 466.488 | Formula: C22H19FN6O3S
H donors: 3 H acceptors: 7 LogP: 3.53 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1F)CSc1nnc(n1c1cccc(c1)C)Cc1cc(O)nc(n1)O
InChi: 1S/C22H19FN6O3S/c1-13-5-4-6-15(9-13)29-18(10-14-11-19(30)26-21(32)24-14)27-28-22(29)33-12-20(31)25-17-8-3-2-7-16(17)23/h2-9,11H,10,12H2,1H3,(H,25,31)(H2,24,26,30,32)
InChiKey: ZRVOJECSSGICFU-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

2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide
2-[[5-[(2,6-diketo-3H-pyrimidin-4-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide
2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide

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	hypothetical protein	0.0016	0.0047	0.0041
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2048	1
Onchocerca volvulus		0.0031	0.0693	0.0137
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0172	0.0198
Echinococcus granulosus	lamin dm0	0.0028	0.0563	0.2577
Echinococcus multilocularis	lamin	0.0028	0.0563	0.2577
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.1459	0.6587
Echinococcus multilocularis	zinc finger protein	0.002	0.0231	0.0917
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0856	0.0983
Brugia malayi	Bromodomain containing protein	0.0077	0.2722	0.3127
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0117	0.0366
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0172	0.0198
Brugia malayi	Pre-SET motif family protein	0.0215	0.8707	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2048	0.2352
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.1459	0.6587
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1182	0.1357
Brugia malayi	intermediate filament protein	0.0028	0.0563	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0856	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0073	0.253	0.2906
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0117	0.035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0966	0.4591
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0693	0.5
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0172	0.0625
Echinococcus granulosus	dna polymerase eta	0.0019	0.0172	0.0625
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0117	0.0366
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0172	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0172	1
Schistosoma mansoni	lamin	0.0028	0.0563	0.2432
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0693	0.3225
Leishmania major	DNA polymerase eta, putative	0.0019	0.0172	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.1459	0.7057
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0172	0.5
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2048	0.2352
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0364	0.1583
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0278	0.0319
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0172	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0172	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0047	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1459	0.1676
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2048	0.9317
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0172	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0047	0.0041
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.2035	0.9932
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0563	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1268	0.1456
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0172	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0172	0.0625
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2048	0.9317
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0172	0.0625
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0563	0.2432
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1552	0.1783
Loa Loa (eye worm)	hypothetical protein	0.004	0.1076	0.1235
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0172	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2048	0.9317
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0172	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0172	0.0198
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0172	0.5
Schistosoma mansoni	hypothetical protein	0.0021	0.0278	0.1112
Brugia malayi	Pre-SET motif family protein	0.0031	0.0693	0.0795
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Brugia malayi	TAR-binding protein	0.0062	0.2048	0.2352
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2048	0.9317
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0563	0.0646
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0047	0.0054
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0172	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0047	0.0041
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2048	0.2352
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.2035	0.9932
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1552	0.1783
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.8707	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1552	0.1783
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0047	0.0054
Brugia malayi	PHD-finger family protein	0.0026	0.047	0.054
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0563	0.0646
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0693	0.3033
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0172	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2048	0.2352
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0563	0.0646
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2048	0.9317
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0643	0.2979
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0145	0.0166
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0117	0.035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0693	0.5
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0172	0.0625
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0172	0.0621
Brugia malayi	RNA binding protein	0.0062	0.2048	0.2352
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.1459	0.7057
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0693	0.3033
Schistosoma mansoni	zinc finger protein	0.002	0.0231	0.0891
Schistosoma mansoni	lamin	0.0028	0.0563	0.2432
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0364	0.151
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0172	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0966	0.4591
Trypanosoma brucei	unspecified product	0.0019	0.0172	1
Brugia malayi	Bromodomain containing protein	0.0039	0.1072	0.1232
Schistosoma mansoni	bromodomain containing protein	0.0065	0.2195	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0172	0.0625
Echinococcus multilocularis	musashi	0.0028	0.0563	0.2577
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0047	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0541	0.0621
Trichomonas vaginalis	set domain proteins, putative	0.0244	1	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0047	0.0041
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1552	0.1783
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0172	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0172	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0172	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0856	0.3789
Echinococcus granulosus	intermediate filament protein	0.0028	0.0563	0.2577
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2048	1
Echinococcus granulosus	zinc finger protein	0.002	0.0231	0.0917
Echinococcus multilocularis	lamin dm0	0.0028	0.0563	0.2577
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0172	1
Echinococcus granulosus	lamin	0.0028	0.0563	0.2577
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0172	0.0621
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0172	0.0621
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0172	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0172	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0364	0.1583

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 620448