TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 465.522 | Formula: C24H23N3O5S
H donors: 0 H acceptors: 5 LogP: 3.75 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1Cc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi: 1S/C24H23N3O5S/c28-24(21-11-5-4-10-20(21)18-19-8-2-1-3-9-19)25-14-16-26(17-15-25)33(31,32)23-13-7-6-12-22(23)27(29)30/h1-13H,14-18H2
InChiKey: QKQZAPGUXMOYMB-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	glutaminase	0.0303	0.9045	1
Onchocerca volvulus		0.0182	0.5215	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.083	0.0858
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.083	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0896	0.0896
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0976	0.1079
Schistosoma mansoni	hypothetical protein	0.0022	0.012	0.0133
Brugia malayi	Bromodomain containing protein	0.0044	0.0822	0.0876
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0059	0.0059
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0896	0.0957
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1798	0.1988
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3647	0.4032
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	0.4004	0.4004
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0033	0.0033
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.1539	0.1539
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0641	1
Schistosoma mansoni	hypothetical protein	0.0123	0.3334	0.3686
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0033	0.0033
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1463	0.1563
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1854	0.205
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0633	0.0633
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0641	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0896	0.099
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1337	0.1479
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0904	0.0999
Brugia malayi	Bromodomain containing protein	0.0083	0.2052	0.224
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0641	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1854	0.205
Echinococcus granulosus	GPCR family 2	0.0019	0.0033	0.0033
Brugia malayi	acetyltransferase, GNAT family protein	0.0144	0.4004	0.4406
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1854	0.205
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.1463	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.3495	0.3864
Brugia malayi	RNA binding protein	0.0076	0.1854	0.2021
Trichomonas vaginalis	glutaminase, putative	0.0303	0.9045	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0714	0.079
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1854	0.205
Echinococcus multilocularis	zinc finger protein	0.0024	0.0195	0.0195
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0133	0.3647	0.3647
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0059	0.0065
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3647	0.4032
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0896	0.0896
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0033	0.0033
Loa Loa (eye worm)	bromodomain containing protein	0.0022	0.0131	0.0144
Schistosoma mansoni	ap endonuclease	0.002	0.0059	0.0065
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.1463	0.1463
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1337	0.1448
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1463	0.1563
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0184	0.0184
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.1463	0.1617
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.083	0.5493
Loa Loa (eye worm)	glutaminase 2	0.0303	0.9045	1
Schistosoma mansoni	zinc finger protein	0.0024	0.0195	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0976	0.1079
Schistosoma mansoni	glutaminase	0.0303	0.9045	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.3799	0.3799
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	0.4004	0.4427
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1854	0.205
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.083	0.083
Brugia malayi	hypothetical protein	0.0182	0.5215	0.575
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0059	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.3334	0.3334
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1337	0.1448
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1854	0.205
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.3334	0.3334
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0968	0.107
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1854	0.205
Loa Loa (eye worm)	hypothetical protein	0.006	0.1337	0.1479
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.3495	0.3864
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0059	0.5
Brugia malayi	PHD-finger family protein	0.003	0.0373	0.0378
Brugia malayi	glutaminase DH11.1	0.0303	0.9045	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0033	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0033	0.0036
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1854	0.1854
Schistosoma mansoni	ap endonuclease	0.002	0.0059	0.0065
Schistosoma mansoni	hypothetical protein	0.0041	0.0734	0.0811
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.1539	0.1539
Schistosoma mansoni	hypothetical protein	0.0019	0.0033	0.0036
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.1463	0.1617
Echinococcus granulosus	zinc finger protein	0.0024	0.0195	0.0195
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0896	0.0896
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0033	0.0033
Brugia malayi	MH2 domain containing protein	0.0128	0.3495	0.3842
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0734	0.0811
Schistosoma mansoni	bromodomain containing protein	0.007	0.1659	0.1834
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0059	0.5
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1854	0.1854
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0033	0.0033
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.083	0.5493
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0896	0.0896
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0896	0.099
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.1463	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0033	0.0036
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1854	0.2021
Loa Loa (eye worm)	hypothetical protein	0.0182	0.5215	0.5765
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0033	0.0036
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.012	0.0133
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0184	0.0203
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1854	0.205
Loa Loa (eye worm)	glutaminase	0.0303	0.9045	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.1463	0.1463
Loa Loa (eye worm)	acetyltransferase	0.0144	0.4004	0.4427
Schistosoma mansoni	hypothetical protein	0.0019	0.0033	0.0036
Brugia malayi	TAR-binding protein	0.0076	0.1854	0.2021
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0896	0.099
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.1463	1
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0059	0.0029
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0059	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0184	0.0184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0896	0.099
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.083	0.0858
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1463	0.1563
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0633	0.0633
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0734	0.0778
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0059	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1396491

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 1286816