TDR Targets

Basic information

Technical information

TDR Targets ID: 618041
Name: N-(2,4-difluorophenyl)-2-[[3-(4-methylphenyl) -[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfany l]acetamide
MW: 411.428 | Formula: C20H15F2N5OS
H donors: 1 H acceptors: 4 LogP: 3.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1F)F)CSc1ccc2n(n1)c(nn2)c1ccc(cc1)C
InChi: 1S/C20H15F2N5OS/c1-12-2-4-13(5-3-12)20-25-24-17-8-9-19(26-27(17)20)29-11-18(28)23-16-7-6-14(21)10-15(16)22/h2-10H,11H2,1H3,(H,23,28)
InChiKey: IBHFUYKDVQOUQL-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-(2,4-difluorophenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetamide
N-(2,4-difluorophenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ethanamide
ZINC04164728

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
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0877	0.1275
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0981	0.0749
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0877	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0694	0.0454
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.4766	0.7862
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.4766	0.9173
Loa Loa (eye worm)	RNA binding protein	0.0064	0.3091	0.4945
Echinococcus granulosus	GPCR family 2	0.0018	0.0694	0.0454
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0252	0.2867
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.2241	0.4214
Loa Loa (eye worm)	hypothetical protein	0.0057	0.2757	0.4364
Loa Loa (eye worm)	hypothetical protein	0.0102	0.5115	0.8469
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0694	0.0454
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0877	0.1088
Schistosoma mansoni	hypothetical protein	0.0195	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0694	0.0901
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0877	0.1088
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0252	0.2867
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3091	0.2913
Brugia malayi	RNA binding protein	0.0064	0.3091	0.5786
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.083	0.9248
Entamoeba histolytica	protein kinase domain containing protein	0.0103	0.5159	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.3091	0.4945
Loa Loa (eye worm)	hypothetical protein	0.0119	0.5994	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.3091	0.4945
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0981	0.1487
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.4766	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0694	0.077
Schistosoma mansoni	hypothetical protein	0.0018	0.0694	0.0454
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0981	0.1326
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0877	0.0998
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3091	0.2913
Schistosoma mansoni	ap endonuclease	0.0022	0.0877	0.0642
Schistosoma mansoni	hypothetical protein	0.0018	0.0694	0.0454
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.0877	0.0998
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0877	0.1386
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1802	0.27
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0877	0.0998
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0981	0.1326
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3091	0.2913
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.4766	0.9173
Schistosoma mansoni	hypothetical protein	0.0018	0.0694	0.0454
Entamoeba histolytica	hypothetical protein	0.0103	0.5159	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.4766	0.4631
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.3091	0.5786
Toxoplasma gondii	exonuclease III APE	0.0022	0.0877	1
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0981	0.1271
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0877	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.2757	0.5106
Schistosoma mansoni	hypothetical protein	0.0039	0.1802	0.1591
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.4766	0.4631
Giardia lamblia	Kinase, PLK	0.0096	0.4766	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0877	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.5115	0.8469
Schistosoma mansoni	serine/threonine protein kinase	0.0103	0.5159	0.5034
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.3091	0.2913
Brugia malayi	Protein kinase domain containing protein	0.0103	0.5159	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.4766	0.4631
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0877	0.0998
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0877	0.0642
Entamoeba histolytica	protein kinase, putative	0.0103	0.5159	1
Schistosoma mansoni	hypothetical protein	0.0195	1	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0877	0.109
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0.0877	0.5
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0694	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0694	0.077
Schistosoma mansoni	kinase	0.0049	0.2307	0.2109
Trypanosoma brucei	polo-like protein kinase	0.0096	0.4766	0.9173
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.1802	0.316
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0103	0.5159	1
Echinococcus multilocularis	dual specificity	0.0103	0.5159	0.5034
Echinococcus granulosus	tar DNA binding protein	0.0064	0.3091	0.2913
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0402	0.078
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.4766	0.9173
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0877	0.0642
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3091	0.2913
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.2757	0.4364
Schistosoma mansoni	ap endonuclease	0.0022	0.0877	0.0642
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.072	0.048
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0103	0.5159	0.8546
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3091	0.2913
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0877	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0103	0.5159	1
Echinococcus multilocularis	geminin	0.0195	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.2241	0.4214
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Echinococcus granulosus	dual specificity	0.0103	0.5159	0.5034
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0569	0.6484
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.0877	0.5
Entamoeba histolytica	protein kinase, putative	0.0103	0.5159	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.4766	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.2757	0.5106
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.4766	0.9238
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0877	0.1701
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.4766	0.9199
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0694	0.0901
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0103	0.5159	1
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0103	0.5159	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0694	0.0454
Brugia malayi	TAR-binding protein	0.0064	0.3091	0.5786
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0694	0.0454
Schistosoma mansoni	hypothetical protein	0.0018	0.0694	0.0454
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0981	0.0749

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 618041