TDR Targets

Basic information

Technical information

TDR Targets ID: 16789
Name: 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thi eno[2,3-c]pyridine
MW: 263.786 | Formula: C14H14ClNS
H donors: 0 H acceptors: 0 LogP: 3.92 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN1Cc2sc(cc2C(C1)c1ccccc1)Cl
InChi: 1S/C14H14ClNS/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16/h2-7,12H,8-9H2,1H3
InChiKey: OGVSUHXTKAMGTR-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

2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[3,2-d]pyridine

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	hypothetical protein	0.0042	0.0144	0.0261
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.028	0.0406
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.023	0.1595	0.4466
Brugia malayi	hypoxia-induced factor 1	0.0175	0.1173	0.3243
Plasmodium vivax	orotidine 5'-phosphate decarboxylase, putative	0.0131	0.0833	0.1713
Brugia malayi	Ets-domain containing protein	0.0073	0.0387	0.0965
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0478	0.3504	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0231	0.0261
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0321	0.2292	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0231	0.0261
Echinococcus granulosus	uridine 5' monophosphate synthase	0.0131	0.0833	0.205
Onchocerca volvulus		0.0473	0.3468	0.3758
Loa Loa (eye worm)	orotate phosphoribosyltransferase	0.0131	0.0833	0.2257
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0231	0.0261
Loa Loa (eye worm)	thymidylate synthase	0.0478	0.3504	1
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0321	0.2292	0.6394
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0231	0.0515
Trichomonas vaginalis	set domain proteins, putative	0.0473	0.3468	1
Echinococcus granulosus	single minded 2	0.0042	0.0144	0.0001
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.006	0.028	0.0406
Loa Loa (eye worm)	fli-1 protein	0.0223	0.1539	0.4305
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.0438	0.32	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0339	0.0825
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0057	0.0263	0.0356
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.028	0.0406
Schistosoma mansoni	orotidine 5'-phosphate decarboxylase	0.0131	0.0833	0.205
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.028	0.0406
Schistosoma mansoni	hypothetical protein	0.0289	0.205	0.5674
Schistosoma mansoni	gabp alpha	0.0073	0.0387	0.0723
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0597	0.135
Entamoeba histolytica	hypothetical protein	0.0042	0.0144	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.0339	0.058
Echinococcus granulosus	geminin	0.0197	0.1342	0.3567
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0227	0.1573	0.2771
Brugia malayi	PAS domain containing protein	0.0057	0.0258	0.0591
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0321	0.2292	0.6394
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0478	0.3504	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.028	0.0406
Schistosoma mansoni	single-minded	0.0057	0.0258	0.0339
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1573	0.3944
Brugia malayi	thymidylate synthase	0.0478	0.3504	1
Brugia malayi	hypothetical protein	0.019	0.1286	0.3572
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0597	0.135
Brugia malayi	hypothetical protein	0.0227	0.1573	0.4403
Schistosoma mansoni	hypothetical protein	0.0051	0.0213	0.0206
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0478	0.3504	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0144	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0478	0.3504	1
Trypanosoma brucei	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0131	0.0833	0.2376
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0321	0.2292	0.3726
Entamoeba histolytica	hypothetical protein	0.0042	0.0144	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0478	0.3504	1
Echinococcus multilocularis	thymidylate synthase	0.0478	0.3504	1
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0101	0.0597	0.135
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0478	0.3504	1
Echinococcus multilocularis	uridine 5' monophosphate synthase	0.0131	0.0833	0.205
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0478	0.3504	1
Echinococcus granulosus	GA binding protein alpha chain	0.0073	0.0387	0.0723
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0231	0.0261
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0478	0.3504	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0057	0.0258	0.0339
Loa Loa (eye worm)	hypothetical protein	0.006	0.028	0.0657
Brugia malayi	bHLH-PAS transcription factor	0.0042	0.0144	0.0261
Toxoplasma gondii	melibiase subfamily protein	0.0101	0.0597	0.0983
Brugia malayi	follicle stimulating hormone receptor	0.023	0.1595	0.4466
Brugia malayi	Ets-domain containing protein	0.0073	0.0387	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0305	0.0727
Trypanosoma brucei	RNA helicase, putative	0.0289	0.205	0.5852
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0231	0.0515
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0321	0.2292	0.6394
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0478	0.3504	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0231	0.0261
Schistosoma mansoni	hypothetical protein	0.0197	0.1342	0.3567
Brugia malayi	Melibiase family protein	0.0067	0.0339	0.0825
Mycobacterium ulcerans	orotidine 5'-phosphate decarboxylase	0.0131	0.0833	0.2049
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.0339	0.058
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0231	0.0261
Echinococcus granulosus	histone lysine methyltransferase setb	0.006	0.028	0.0406
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0321	0.2292	0.5465
Echinococcus multilocularis	transfer RNA-Lys	0.0042	0.0144	0.0001
Onchocerca volvulus		0.1189	0.8988	1
Schistosoma mansoni	ets-related	0.0223	0.1539	0.4153
Brugia malayi	hypothetical protein	0.0124	0.0778	0.2099
Echinococcus multilocularis	geminin	0.0197	0.1342	0.3567
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.006	0.028	0.0406
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0321	0.2292	0.6242
Brugia malayi	Pre-SET motif family protein	0.0416	0.3025	0.8613
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0416	0.3025	0.8613
Toxoplasma gondii	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase	0.0131	0.0833	0.1713
Brugia malayi	Pre-SET motif family protein	0.006	0.028	0.0657
Echinococcus multilocularis	GA binding protein alpha chain	0.0073	0.0387	0.0723
Brugia malayi	Fli-1 protein	0.0223	0.1539	0.4305
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0101	0.0597	0.135
Brugia malayi	Protein kinase domain containing protein	0.0438	0.32	0.9121
Loa Loa (eye worm)	hypothetical protein	0.019	0.1286	0.3572
Entamoeba histolytica	hypothetical protein	0.0042	0.0144	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0073	0.0387	0.0965
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0175	0.1173	0.3243
Onchocerca volvulus		0.0478	0.3504	0.3799
Loa Loa (eye worm)	hypothetical protein	0.0324	0.2316	0.6556
Echinococcus granulosus	thymidylate synthase	0.0478	0.3504	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0597	0.135
Schistosoma mansoni	hypothetical protein	0.0197	0.1342	0.3567
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0231	0.0261
Brugia malayi	orotate phosphoribosyltransferase family protein	0.0131	0.0833	0.2257
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0597	0.135
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0101	0.0597	0.135
Mycobacterium ulcerans	thymidylate synthase	0.0478	0.3504	1
Onchocerca volvulus		0.006	0.028	0.0154

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 40 mg kg-1	Anti-tetrabenazine (TBZ) activity, ability to prevent TBZ-induced ptosis in mice	ChEMBL.	6471069
IC50 (functional)	= 1.4 uM	In vitro inhibition of norepinephrine uptake in rat brain synaptosomes using [3H]-NE	ChEMBL.	6471069
IC50 (functional)	> 10 uM	In vitro inhibition of 5-HT uptake in rat brain synaptosomes using [3H]- 5-hydroxytryptamine	ChEMBL.	6471069

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

PubChem: 20546727

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 16789