TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.433 | Formula: C17H22N2O3S
H donors: 2 H acceptors: 2 LogP: 3.24 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNc1ccc(c(c1)OC)S(=O)(=O)c1ccc(cc1)N
InChi: 1S/C17H22N2O3S/c1-3-4-11-19-14-7-10-17(16(12-14)22-2)23(20,21)15-8-5-13(18)6-9-15/h5-10,12,19H,3-4,11,18H2,1-2H3
InChiKey: ZMUZVXICSXNEBM-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

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	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.071	0.071
Schistosoma mansoni	histone deacetylase hda2	0.0058	0.4009	0.4009
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0025	0.071	0.071
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0119	1	1
Leishmania major	histone deacetylase, putative	0.0058	0.4009	1
Echinococcus multilocularis	histone deacetylase	0.0058	0.4009	0.4009
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0025	0.071	0.071
Loa Loa (eye worm)	GABA receptor subunit	0.0108	0.8877	0.8877
Brugia malayi	Cation transporter family protein	0.0025	0.071	0.071
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0025	0.071	0.071
Plasmodium vivax	histone deacetylase, putative	0.0058	0.4009	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.071	0.071
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0119	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0025	0.071	0.071
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0106	0.8689	0.8689
Brugia malayi	Histone deacetylase family protein	0.0058	0.4009	0.4009
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.071	0.071
Echinococcus multilocularis	histone deacetylase 6	0.0058	0.4009	0.4009
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.071	0.071
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0025	0.071	0.071
Trypanosoma cruzi	histone deacetylase, putative	0.0058	0.4009	1
Trypanosoma brucei	histone deacetylase, putative	0.0058	0.4009	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0119	1	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0025	0.071	0.071
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0119	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0018	0	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0025	0.071	0.071
Trypanosoma cruzi	histone deacetylase, putative	0.0058	0.4009	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0025	0.071	0.071
Onchocerca volvulus		0.0025	0.071	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0025	0.071	0.071
Echinococcus multilocularis	glycine receptor subunit beta	0.0119	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0025	0.071	0.071
Echinococcus multilocularis	nAChR subunit	0.0025	0.071	0.071
Loa Loa (eye worm)	histone deacetylase 7A	0.0058	0.4009	0.4009
Trypanosoma brucei	histone deacetylase 4	0.0058	0.4009	1
Entamoeba histolytica	histone deacetylase, putative	0.0018	0	0.5
Echinococcus granulosus	histone deacetylase 7	0.0058	0.4009	0.4009
Echinococcus granulosus	protein phosphatase 1b	0.007	0.5183	0.5183
Echinococcus granulosus	glycine receptor subunit beta	0.0119	1	1
Schistosoma mansoni	histone deacetylase 4 5	0.0058	0.4009	0.4009
Brugia malayi	excitatory GABA receptor EXP-1A	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2286	0.2286
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.071	0.071
Onchocerca volvulus		0.0025	0.071	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Trichomonas vaginalis	histone deacetylase, putative	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2286	0.2286
Loa Loa (eye worm)	protein phosphatase 2C containing protein	0.008	0.6184	0.6184
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Onchocerca volvulus		0.0025	0.071	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0119	1	1
Schistosoma mansoni	protein phosphatase 2C	0.007	0.5183	0.5183
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0119	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.071	0.071
Toxoplasma gondii	histone deacetylase HDAC1	0.0058	0.4009	1
Schistosoma mansoni	protein phosphatase 2C	0.007	0.5183	0.5183
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0119	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0058	0.4009	1
Loa Loa (eye worm)	histone deacetylase	0.0058	0.4009	0.4009
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0025	0.071	0.071
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0106	0.8689	0.8689
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.071	0.071
Echinococcus granulosus	nAChR subunit	0.0025	0.071	0.071
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Schistosoma mansoni	protein phosphatase 2C	0.008	0.6184	0.6184
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.071	0.071
Plasmodium vivax	histone deacetylase 2, putative	0.0058	0.4009	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.8877	0.8877
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0025	0.071	0.071
Echinococcus granulosus	histone deacetylase 6	0.0058	0.4009	0.4009
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0025	0.071	0.071
Echinococcus granulosus	protein phosphatase 1b	0.008	0.6184	0.6184
Onchocerca volvulus		0.0025	0.071	1
Echinococcus granulosus	histone deacetylase 6	0.0058	0.4009	0.4009
Echinococcus multilocularis	glycine receptor subunit beta	0.0119	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0119	1	1
Plasmodium falciparum	histone deacetylase 2	0.0058	0.4009	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0119	1	1
Echinococcus granulosus	glycine receptor subunit beta	0.0119	1	1
Brugia malayi	Histone deacetylase family protein	0.0058	0.4009	0.4009
Brugia malayi	Cation transporter family protein	0.0025	0.071	0.071
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0119	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0025	0.071	0.071
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0025	0.071	0.071
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.071	0.071
Echinococcus multilocularis	histone deacetylase 7	0.0058	0.4009	0.4009
Trichomonas vaginalis	histone deacetylase, putative	0.0018	0	0.5
Trichomonas vaginalis	histone deacetylase, putative	0.0018	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.071	0.071
Echinococcus granulosus	histone deacetylase	0.0058	0.4009	0.4009
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0106	0.8689	0.8689
Loa Loa (eye worm)	LGC-31 protein	0.0025	0.071	0.071
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0025	0.071	0.071
Giardia lamblia	Histone deacetylase	0.0018	0	0.5
Echinococcus multilocularis	protein phosphatase 1b	0.007	0.5183	0.5183
Echinococcus granulosus	histone deacetylase 6	0.0058	0.4009	0.4009
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.071	0.071
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0119	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0119	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0025	0.071	0.071
Leishmania major	histone deacetylase, putative	0.0058	0.4009	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Trichomonas vaginalis	histone deacetylase, putative	0.0018	0	0.5
Trypanosoma brucei	histone deacetylase 3	0.0058	0.4009	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0025	0.071	0.071
Onchocerca volvulus	Putative nachr subunit	0.0025	0.071	1
Schistosoma mansoni	nAChR subunit	0.0025	0.071	0.071
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0108	0.8877	0.8877
Trichomonas vaginalis	histone deacetylase, putative	0.0018	0	0.5
Plasmodium falciparum	histone deacetylase, putative	0.0058	0.4009	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0025	0.071	0.071
Onchocerca volvulus		0.0025	0.071	1
Schistosoma mansoni	histone deacetylase 4 5	0.0058	0.4009	0.4009
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0018	0	0.5
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0025	0.071	0.071
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0119	1	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0025	0.071	0.071
Onchocerca volvulus		0.0025	0.071	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Echinococcus multilocularis	histone deacetylase 6	0.0058	0.4009	0.4009
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0106	0.8689	0.8689
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0018	0	0.5
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.071	0.071
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0025	0.071	0.071
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0025	0.071	0.071
Echinococcus multilocularis	histone deacetylase 6	0.0058	0.4009	0.4009
Echinococcus multilocularis	protein phosphatase 1b	0.008	0.6184	0.6184
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Loa Loa (eye worm)	hypothetical protein	0.0025	0.071	0.071
Brugia malayi	Protein phosphatase 2C containing protein	0.008	0.6184	0.6184

Activities

Activity type	Activity value	Assay description	Source	Reference
pC (binding)	= 5.99	In vitro inhibition of Mycobacterium lufu dihydopterate synthase.	ChEMBL.	3572979

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 302295