TDR Targets

Basic information

Technical information

TDR Targets ID: 617963
Name: N-(4-acetylphenyl)-2-[[3-(4-fluorophenyl)-[1, 2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac etamide
MW: 421.447 | Formula: C21H16FN5O2S
H donors: 1 H acceptors: 5 LogP: 2.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)C(=O)C)CSc1ccc2n(n1)c(nn2)c1ccc(cc1)F
InChi: 1S/C21H16FN5O2S/c1-13(28)14-4-8-17(9-5-14)23-19(29)12-30-20-11-10-18-24-25-21(27(18)26-20)15-2-6-16(22)7-3-15/h2-11H,12H2,1H3,(H,23,29)
InChiKey: NYDUUSPMHOOSPE-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-acetylphenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetamide
N-(4-ethanoylphenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]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
Loa Loa (eye worm)	hypothetical protein	0.007	0.118	0.4977
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0003	0.0015
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.01	0.1864	0.4929
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.01	0.1864	0.2127
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0003	0.0015
Mycobacterium tuberculosis	Conserved protein	0.007	0.118	0.118
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0003	0.0009
Giardia lamblia	DINP protein human, muc B family	0.002	0	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.118	0.118
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0003	0.0004
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0003	0.0009
Mycobacterium ulcerans	hypothetical protein	0.007	0.118	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0003	0.0009
Brugia malayi	nuclear receptor NHR-88	0.002	0.0003	0.0015
Echinococcus granulosus	FTZ F1 alpha	0.0396	0.8766	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0003	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0003	0.0015
Echinococcus granulosus	geminin	0.0182	0.3783	0.4315
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.118	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0003	0.0009
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.118	0.118
Echinococcus multilocularis	geminin	0.0182	0.3783	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0003	0.0015
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0003	0.0015
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0003	0.0009
Mycobacterium ulcerans	beta-lactamase	0.007	0.118	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.118	0.3119
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0003	0.0004
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0003	0.0015
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Brugia malayi	beta-lactamase family protein	0.007	0.118	0.4977
Loa Loa (eye worm)	hypothetical protein	0.007	0.118	0.4977
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0003	0.0015
Echinococcus multilocularis	FTZ F1 alpha	0.01	0.1864	0.4929
Mycobacterium ulcerans	lipase LipD	0.007	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.118	0.4977
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0003	0.0009
Brugia malayi	RNA binding protein	0.0062	0.0979	0.4131
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0003	0.0015
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.118	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0003	0.0004
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0979	0.4131
Brugia malayi	beta-lactamase family protein	0.007	0.118	0.4977
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.01	0.1864	0.7865
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.118	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0979	0.2589
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0003	0.0004
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.118	0.4977
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0979	0.2589
Toxoplasma gondii	ABC1 family protein	0.007	0.118	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0003	0.0009
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0979	0.4131
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0724	0.3053
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0003	0.0015
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0003	0.0009
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0724	0.3053
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.118	1
Mycobacterium tuberculosis	Conserved protein	0.007	0.118	0.118
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Trichomonas vaginalis	esterase, putative	0.007	0.118	1
Schistosoma mansoni	hypothetical protein	0.0182	0.3783	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0003	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.01	0.1864	0.7865
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.035	0.1477
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.118	0.118
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0003	0.0015
Brugia malayi	beta-lactamase	0.007	0.118	0.4977
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0003	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0003	0.0015
Mycobacterium leprae	conserved hypothetical protein	0.007	0.118	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0003	0.0009
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0003	0.0009
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0003	0.0009
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0003	0.0015
Loa Loa (eye worm)	hypothetical protein	0.007	0.118	0.4977
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.118	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0003	0.0015
Brugia malayi	MH2 domain containing protein	0.0121	0.237	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0003	0.0004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0003	0.0015
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0003	0.0009
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0979	0.2589
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.118	0.4977
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.118	0.118
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0003	0.0009
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.118	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.237	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Mycobacterium leprae	Probable lipase LipE	0.007	0.118	0.5
Mycobacterium tuberculosis	Conserved protein	0.007	0.118	0.118
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0003	0.0015
Plasmodium vivax	hypothetical protein, conserved	0.007	0.118	0.5
Brugia malayi	steroid hormone receptor	0.002	0.0003	0.0015
Leishmania major	hypothetical protein, conserved	0.007	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0724	0.3053
Loa Loa (eye worm)	hypothetical protein	0.0035	0.035	0.1477
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0003	0.0009
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Brugia malayi	nuclear hormone receptor	0.002	0.0003	0.0015
Schistosoma mansoni	hypothetical protein	0.008	0.1404	0.3711
Onchocerca volvulus		0.007	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.1864	0.7865
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0003	0.0015
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0003	0.0015
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0979	0.1117
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.118	0.118
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.118	0.3119
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.118	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0979	0.4131
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0979	0.2589
Brugia malayi	TAR-binding protein	0.0062	0.0979	0.4131
Schistosoma mansoni	hypothetical protein	0.0182	0.3783	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.237	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0979	0.2589
Loa Loa (eye worm)	hypothetical protein	0.007	0.118	0.4977
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.118	0.3119
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0003	0.0004
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0979	0.2589
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.118	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0003	0.0015
Onchocerca volvulus		0.007	0.118	1
Schistosoma mansoni	coup transcription factor	0.002	0.0003	0.0009
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.01	0.1864	0.4929
Loa Loa (eye worm)	hypothetical protein	0.002	0.0003	0.0015
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0003	0.0009
Schistosoma mansoni	hypothetical protein	0.0035	0.035	0.0925
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.118	0.4977
Onchocerca volvulus		0.007	0.118	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0003	0.0015
Loa Loa (eye worm)	beta-lactamase	0.007	0.118	0.4977
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0003	0.0009
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0979	0.4131
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0724	0.3053
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0003	0.0015
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.118	0.1346
Brugia malayi	ecdysteroid receptor	0.002	0.0003	0.0015
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.118	0.118
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.118	0.118
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0003	0.0009

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 617963