TDR Targets

Basic information

Technical information

TDR Targets ID: 1310692
Name: N-[5-[4-(4-chloro-2-nitrophenyl)piperazin-1-y l]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
MW: 446.889 | Formula: C14H15ClN6O5S2
H donors: 1 H acceptors: 7 LogP: 1.41 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl
InChi: 1S/C14H15ClN6O5S2/c1-9(22)16-13-17-18-14(27-13)28(25,26)20-6-4-19(5-7-20)11-3-2-10(15)8-12(11)21(23)24/h2-3,8H,4-7H2,1H3,(H,16,17,22)
InChiKey: AMBODVZSONSFCZ-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-[5-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
N-[5-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
N-[5-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642

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	neuropeptide F-like receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0291	0.0051
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Echinococcus granulosus	allatostatin A receptor	0.001	0.0291	0.0051
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	somatostatin receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0201	1
Echinococcus granulosus	g protein coupled receptor	0.001	0.0291	0.0051
Echinococcus granulosus	neuropeptide receptor	0.001	0.0291	0.0051
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0291	0.0051
Echinococcus granulosus	orexin receptor type 2	0.001	0.0291	0.0051
Schistosoma mansoni	serine/threonine protein kinase	0.0192	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0291	0.0051
Schistosoma mansoni	cpg binding protein	0.0037	0.1736	0.1736
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0291	0.0051
Schistosoma mansoni	hypothetical protein	0.001	0.0291	0.0291
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0291	0.0051
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0291	0.0051
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0291	0.0291
Echinococcus granulosus	peptide allatostatin:somatostatin	0.001	0.0291	0.0051
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0354	0.0065
Echinococcus granulosus	neuropeptide s receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.3284	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.001	0.0291	0.0051
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0291	0.0051
Schistosoma mansoni	amine GPCR	0.001	0.0291	0.0291
Echinococcus granulosus	tachykinin peptides receptor 99D	0.001	0.0291	0.0051
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	G protein coupled receptor 139	0.001	0.0291	0.0051
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.001	0.0291	0.0051
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.0291	0.0291
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0201	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.3702	0.3702
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0291	0.0051
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0291	0.0051
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.001	0.0291	0.0051
Echinococcus granulosus	g protein coupled receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0201	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0354	0.0115
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Echinococcus granulosus	alpha 1A adrenergic receptor	0.001	0.0291	0.0051
Echinococcus granulosus	g-protein coupled receptor	0.001	0.0291	0.0051
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.001	0.0291	0.0051
Schistosoma mansoni	amine GPCR	0.001	0.0291	0.0291
Echinococcus multilocularis	G-protein coupled receptor, putative	0.001	0.0291	0.0051
Entamoeba histolytica	hypothetical protein	0.0004	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Schistosoma mansoni	neuropeptide receptor	0.001	0.0291	0.0291
Schistosoma mansoni	opsin-like receptor	0.001	0.0291	0.0291
Schistosoma mansoni	myosin xvIII	0.001	0.0291	0.0291
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0047	0.0047
Echinococcus multilocularis	neuropeptide s receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0291	0.0051
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0291	0.0291
Schistosoma mansoni	amine GPCR	0.001	0.0291	0.0291
Schistosoma mansoni	hypothetical protein	0.001	0.0291	0.0291
Echinococcus granulosus	neuropeptide FF receptor 2	0.001	0.0291	0.0051
Schistosoma mansoni	neuropeptide receptor	0.001	0.0291	0.0291
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0291	0.0051
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.0291	0.0291
Schistosoma mansoni	adenoreceptor	0.001	0.0291	0.0291
Echinococcus granulosus	hypothetical protein	0.001	0.0291	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0291	0.0051
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.0291	0.0291
Schistosoma mansoni	hypothetical protein	0.001	0.0291	0.0291
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0346	0.0057
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0291	0.0051
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.0291	0.0291
Echinococcus multilocularis	g-protein coupled receptor	0.001	0.0291	0.0051
Echinococcus granulosus	somatostatin receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	orexin receptor type 2	0.001	0.0291	0.0051
Echinococcus multilocularis	serotonin receptor	0.001	0.0291	0.0051
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0192	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0291	0.0291
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.0291	0.0291
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.0291	0.0291
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0201	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.001	0.0291	0.0051
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.001	0.0291	0.0051
Schistosoma mansoni	amine GPCR	0.001	0.0291	0.0291
Echinococcus multilocularis	neuropeptide FF receptor 2	0.001	0.0291	0.0051
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0192	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0291	0.0051
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0291	0.0051
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0291	0.0291
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0241	0.0241
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.163	0.1379
Echinococcus granulosus	7TM GPCR rhodopsin	0.001	0.0291	0.0051
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0201	1
Echinococcus granulosus	fmrfamide receptor	0.001	0.0291	0.0051
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0291	0.0051
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0291	0.0051
Plasmodium falciparum	zinc finger protein, putative	0.0004	0	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.001	0.0291	0.0051
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Echinococcus granulosus	dro:myosuppressin receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0291	0.0051
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Schistosoma mansoni	cpg binding protein	0.0035	0.163	0.163
Schistosoma mansoni	neuropeptide receptor	0.001	0.0291	0.0291
Schistosoma mansoni	opsin-like receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Brugia malayi	CXXC zinc finger family protein	0.0035	0.163	0.1379
Echinococcus granulosus	cpg binding protein	0.0037	0.1736	0.1531
Schistosoma mansoni	amine GPCR	0.001	0.0291	0.0291
Schistosoma mansoni	biogenic amine receptor	0.001	0.0291	0.0291
Schistosoma mansoni	histamine h1 receptor	0.001	0.0291	0.0291
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.001	0.0291	0.0051
Schistosoma mansoni	biogenic amine receptor	0.001	0.0291	0.0291
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0201	1
Schistosoma mansoni	biogenic amine receptor	0.001	0.0291	0.0291
Schistosoma mansoni	cpg binding protein	0.0037	0.1736	0.1736
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	serotonin receptor	0.001	0.0291	0.0051
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0291	0.0051
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0354	0.0115
Schistosoma mansoni	neuropeptide receptor	0.001	0.0291	0.0291
Echinococcus granulosus	G protein coupled receptor 139	0.001	0.0291	0.0051
Echinococcus granulosus	sex peptide receptor	0.001	0.0291	0.0051
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0291	0.0291
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.0291	0.0291
Echinococcus granulosus	serotonin receptor	0.001	0.0291	0.0051
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0291	0.0291
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.0291	0.0291
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	allatostatin A receptor	0.001	0.0291	0.0051
Echinococcus granulosus	g protein coupled receptor	0.001	0.0291	0.0051
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0201	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	cpg binding protein	0.0037	0.1736	0.1531
Echinococcus multilocularis	sex peptide receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.001	0.0291	0.0051
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Echinococcus multilocularis	neuropeptide receptor A26	0.001	0.0291	0.0051
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0192	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0291	0.0051
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0291	0.0291
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0291	0.0051
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.0291	0.0291
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0291	0.0051
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0201	1
Schistosoma mansoni	opsin-like receptor	0.001	0.0291	0.0291
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0291	0.0051
Trichomonas vaginalis	helicase, putative	0.0008	0.0201	1
Echinococcus granulosus	neuropeptide receptor	0.001	0.0291	0.0051
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0201	1
Onchocerca volvulus		0.0035	0.163	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0291	0.0051
Schistosoma mansoni	hypothetical protein	0.001	0.0291	0.0291

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 150 um	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	> 150 um	PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

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

ChEMBL: CHEMBL1421884

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1310692