TDR Targets

Basic information

Technical information

TDR Targets ID: 626774
Name: N-(3-chloro-4-methylphenyl)-2-[[3-(4-methoxyp henyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s ulfanyl]acetamide
MW: 439.918 | Formula: C21H18ClN5O2S
H donors: 1 H acceptors: 4 LogP: 4.11 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1nnc2n1nc(SCC(=O)Nc1ccc(c(c1)Cl)C)cc2
InChi: 1S/C21H18ClN5O2S/c1-13-3-6-15(11-17(13)22)23-19(28)12-30-20-10-9-18-24-25-21(27(18)26-20)14-4-7-16(29-2)8-5-14/h3-11H,12H2,1-2H3,(H,23,28)
InChiKey: FMRQSLGLPRBMBS-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-(3-chloro-4-methyl-phenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide
N-(3-chloro-4-methylphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetamide
N-(3-chloro-4-methyl-phenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetamide
N-(3-chloro-4-methyl-phenyl)-2-[[3-(4-methoxyphenyl)-[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
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0195	0.0222
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0195	0.0312
Echinococcus granulosus	tar DNA binding protein	0.0126	0.5102	0.8432
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0195	0.0222
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.5102	0.8187
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0285	0.0471
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.107	0.1768
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.107	0.1716
Brugia malayi	ecdysteroid receptor	0.001	0.0195	0.0222
Brugia malayi	Pre-SET motif family protein	0.0213	0.876	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0904	0.5
Loa Loa (eye worm)	acetyltransferase	0.0153	0.6232	0.7114
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.5102	0.8187
Onchocerca volvulus		0.0031	0.107	0.0892
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.5337	0.8564
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0195	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0904	0.1032
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.1679	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0195	0.0222
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.5102	0.8187
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0195	0.0222
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0195	0.0322
Brugia malayi	TAR-binding protein	0.0126	0.5102	0.5824
Brugia malayi	nuclear hormone receptor	0.001	0.0195	0.0222
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0195	0.0322
Brugia malayi	Pre-SET motif family protein	0.0031	0.107	0.1221
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.107	0.1716
Schistosoma mansoni	hypothetical protein	0.0122	0.4924	0.7902
Echinococcus multilocularis	tar DNA binding protein	0.0126	0.5102	0.8187
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.107	0.2143
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0149	0.6051	1
Brugia malayi	steroid hormone receptor	0.001	0.0195	0.0222
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1755	0.2004
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0195	0.0312
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0153	0.6232	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.107	0.1716
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.5337	0.8564
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0195	0.0222
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0195	0.0222
Schistosoma mansoni	hypothetical protein	0.0012	0.0285	0.0457
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.1521	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0195	0.0312
Brugia malayi	nuclear receptor NHR-88	0.001	0.0195	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0031	0.107	0.1221
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.107	0.1716
Leishmania major	hypothetical protein, conserved	0.0027	0.0904	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0195	0.0222
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0195	0.0222
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1755	0.2901
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.1679	0.2774
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0195	0.0312
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0195	0.0312
Brugia malayi	hypothetical protein	0.0017	0.0506	0.0578
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0195	0.0222
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0195	0.0322
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0195	0.0222
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0195	0.0312
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0195	0.0312
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0195	0.0222
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1755	0.2816
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0195	0.0312
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0195	0.0222
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0195	0.0222
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0195	0.0222
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0153	0.6232	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0195	0.0222
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.107	0.1716
Plasmodium vivax	SET domain protein, putative	0.0031	0.107	0.2143
Brugia malayi	RNA recognition motif domain containing protein	0.0126	0.5102	0.5824
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0195	0.0312
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0195	0.0222
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.5337	0.8564
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1755	0.2816
Brugia malayi	RNA binding protein	0.0126	0.5102	0.5824
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.4924	0.7902
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.876	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0195	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.1022	0.1689
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0195	0.0222
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0195	0.0222
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.5102	0.8187
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.1521	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1755	0.2816
Schistosoma mansoni	coup transcription factor	0.001	0.0195	0.0312
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0195	0.0312
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0195	0.0312
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0195	0.0312
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0904	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0904	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0195	0.0312
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0195	0.0312
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1755	0.2816
Loa Loa (eye worm)	TAR-binding protein	0.0126	0.5102	0.5824
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.1521	1
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.5102	0.8187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1755	0.2816
Brugia malayi	acetyltransferase, GNAT family protein	0.0153	0.6232	0.7114
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0195	0.0222
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0285	0.0457
Loa Loa (eye worm)	hypothetical protein	0.001	0.0195	0.0222
Brugia malayi	hypothetical protein	0.0027	0.0904	0.1032
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0195	0.0322
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0195	0.0312
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1755	0.2004
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0195	0.0322
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0195	0.0222
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.4924	0.8138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0195	0.0222
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0195	0.0312
Loa Loa (eye worm)	RNA binding protein	0.0126	0.5102	0.5824
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.1679	1
Trichomonas vaginalis	set domain proteins, putative	0.0242	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0195	0.0322
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0195	0.0312
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0195	0.0322
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.107	0.1716
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0195	0.0222
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0195	0.0322
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0126	0.5102	0.5824
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0195	0.0222
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0195	0.0322
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.1679	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1755	0.2901

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 626774