TDR Targets

Basic information

Technical information

TDR Targets ID: 1472149
Name: 4-(2-chlorophenyl)-3-(dimethylaminomethyl)thi an-4-ol
MW: 285.833 | Formula: C14H20ClNOS
H donors: 1 H acceptors: 1 LogP: 2.6 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(CC1CSCCC1(O)c1ccccc1Cl)C
InChi: 1S/C14H20ClNOS/c1-16(2)9-11-10-18-8-7-14(11,17)12-5-3-4-6-13(12)15/h3-6,11,17H,7-10H2,1-2H3
InChiKey: FBNMNJLSOXDEEC-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

4-(2-chlorophenyl)-3-(dimethylaminomethyl)tetrahydrothiopyran-4-ol
4-(2-chlorophenyl)-3-(dimethylaminomethyl)-4-tetrahydrothiopyranol
AE-641/30177057
Oprea1_090906

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	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Schistosoma mansoni	zinc finger protein	0.0127	0.3436	0.3436
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0148	0.0148
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0148	0.0148
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3436	0.3436
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.091	1
Echinococcus multilocularis	muscleblind protein 1	0.018	0.4966	0.4966
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0148	0.0148
Chlamydia trachomatis	DNA topoisomerase I	0.0357	1	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0127	0.3436	0.2676
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3436	0.3436
Echinococcus multilocularis	ferritin	0.001	0.0094	0.0094
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0148	0.0148
Schistosoma mansoni	apoferritin-2	0.001	0.0094	0.0094
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0127	0.3436	0.3436
Schistosoma mansoni	coup transcription factor	0.0012	0.0148	0.0148
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0148	0.0148
Trypanosoma cruzi	WLM domain containing protein, putative	0.0127	0.3436	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0148	0.0148
Schistosoma mansoni	ferritin light chain	0.001	0.0094	0.0094
Schistosoma mansoni	hypothetical protein	0.0357	1	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0357	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0357	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0148	0.0148
Echinococcus granulosus	zinc finger protein Ran binding	0.0127	0.3436	0.3436
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0148	0.0148
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.1038	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.1038	0.1038
Trypanosoma cruzi	hypothetical protein, conserved	0.0127	0.3436	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.018	0.4966	0.4966
Schistosoma mansoni	hypothetical protein	0.0357	1	1
Leishmania major	hypothetical protein, conserved	0.0127	0.3436	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0148	0.0148
Trypanosoma cruzi	WLM domain containing protein, putative	0.0127	0.3436	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0127	0.3436	0.3436
Echinococcus multilocularis	SWI:SNF matrix associated	0.0357	1	1
Schistosoma mansoni	inositol monophosphatase	0.0043	0.1038	0.1038
Trypanosoma cruzi	hypothetical protein, conserved	0.0127	0.3436	1
Onchocerca volvulus		0.0127	0.3436	0.3338
Echinococcus granulosus	SWI:SNF matrix associated	0.0357	1	1
Schistosoma mansoni	ferritin	0.001	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.018	0.4966	0.4966
Brugia malayi	YY1-associated factor 2	0.0127	0.3436	0.3436
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Schistosoma mansoni	ferritin light chain	0.001	0.0094	0.0094
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0127	0.3436	0.3436
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0148	0.0148
Treponema pallidum	bacterioferrin (TpF1)	0.001	0.0094	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0148	0.0148
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Echinococcus multilocularis	SWI:SNF matrix associated	0.0357	1	1
Schistosoma mansoni	RNA binding protein	0.0127	0.3436	0.3436
Schistosoma mansoni	ferritin	0.001	0.0094	0.0094
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0127	0.3436	1
Schistosoma mansoni	ferritin	0.001	0.0094	0.0094
Trichomonas vaginalis	ferritin, putative	0.001	0.0094	0.0094
Echinococcus multilocularis	zinc finger protein Ran binding	0.0127	0.3436	0.3436
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0148	0.0148
Loa Loa (eye worm)	brahma associated protein	0.0357	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0127	0.3436	0.3436
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0148	0.0148
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0148	0.0148
Echinococcus granulosus	expressed protein	0.001	0.0094	0.0094
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0357	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3436	0.3436
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3436	0.3436
Toxoplasma gondii	ran binding protein	0.0127	0.3436	0.2676
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0127	0.3436	0.3338
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0148	0.0148
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0148	0.0148
Trypanosoma cruzi	hypothetical protein, conserved	0.0127	0.3436	1
Brugia malayi	Muscleblind-like protein	0.018	0.4966	0.4966
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0127	0.3436	0.3436
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.1038	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0148	0.0148
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0127	0.3436	0.3436
Brugia malayi	brahma associated protein 60 kDa	0.0357	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0127	0.3436	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0127	0.3436	1
Onchocerca volvulus		0.0127	0.3436	0.3338
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0357	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Echinococcus granulosus	ring and YY1 binding protein	0.0127	0.3436	0.3436
Trypanosoma brucei	hypothetical protein, conserved	0.0127	0.3436	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0357	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0357	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0148	0.0148
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0148	0.0148
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0357	1	0.5
Brugia malayi	ecdysteroid receptor	0.0012	0.0148	0.0148
Schistosoma mansoni	fusion	0.0127	0.3436	0.3436
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0148	0.0148
Leishmania major	hypothetical protein, conserved	0.0127	0.3436	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0127	0.3436	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0148	0.0148
Brugia malayi	Inositol-1	0.0043	0.1038	0.1038
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Echinococcus multilocularis	ring and YY1 binding protein	0.0127	0.3436	0.3436
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0148	0.0148
Schistosoma mansoni	ferritin	0.001	0.0094	0.0094
Loa Loa (eye worm)	inositol-1	0.0043	0.1038	0.1038
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Plasmodium vivax	hypothetical protein, conserved	0.0357	1	0.5
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3436	0.3436
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0357	1	1
Schistosoma mansoni	brg-1 associated factor	0.0357	1	1
Brugia malayi	nuclear hormone receptor	0.0012	0.0148	0.0148
Echinococcus multilocularis	expressed protein	0.001	0.0094	0.0094
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0127	0.3436	0.3436
Echinococcus granulosus	ferritin	0.001	0.0094	0.0094
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0148	0.0148
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0148	0.0148
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0148	0.0148
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0148	0.0148
Trypanosoma brucei	hypothetical protein, conserved	0.0127	0.3436	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0148	0.0148
Leishmania major	hypothetical protein, conserved	0.0127	0.3436	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0148	0.0148
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0148
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0127	0.3436	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0148	0.0148
Onchocerca volvulus		0.0357	1	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0127	0.3436	0.3436
Brugia malayi	SWIB/MDM2 domain containing protein	0.0357	1	1
Brugia malayi	steroid hormone receptor	0.0012	0.0148	0.0148
Schistosoma mansoni	apoferritin-2	0.001	0.0094	0.0094
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0357	1	1
Leishmania major	hypothetical protein, conserved	0.0127	0.3436	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0148	0.0148
Schistosoma mansoni	inositol monophosphatase	0.0043	0.1038	0.1038
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0357	1	1
Echinococcus granulosus	muscleblind protein	0.018	0.4966	0.4966
Echinococcus multilocularis	muscleblind protein	0.018	0.4966	0.4966
Schistosoma mansoni	hypothetical protein	0.0127	0.3436	0.3436
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0148	0.0148
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.1038	1
Onchocerca volvulus		0.0127	0.3436	0.3338
Onchocerca volvulus		0.0127	0.3436	0.3338
Chlamydia trachomatis	SWIB complex protein	0.0357	1	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0148	0.0148
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0357	1	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.1038	0.1038
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0127	0.3436	0.3436
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.091	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0127	0.3436	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0148	0.0148
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0148	0.0148
Leishmania major	hypothetical protein, conserved	0.0127	0.3436	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0148	0.0148
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0148	0.0148
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0127	0.3436	1

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

ChEMBL: CHEMBL1625448

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 1472149