TDR Targets

Basic information

Technical information

TDR Targets ID: 418299
Name: (6-chloropyridin-3-yl) thiophene-2-carboxylat e
MW: 239.678 | Formula: C10H6ClNO2S
H donors: 0 H acceptors: 2 LogP: 3.24 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cn1)OC(=O)c1cccs1
InChi: 1S/C10H6ClNO2S/c11-9-4-3-7(6-12-9)14-10(13)8-2-1-5-15-8/h1-6H
InChiKey: UPGYQUJMVWQOGL-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

(6-chloro-3-pyridyl) thiophene-2-carboxylate
2-thiophenecarboxylic acid (6-chloro-3-pyridyl) ester
thiophene-2-carboxylic acid (6-chloro-3-pyridyl) ester

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
Leishmania major	cathepsin L-like protease	0.0016	0.0027	0.0863
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Echinococcus granulosus	microtubule associated protein 2	0.0673	0.2292	0.2292
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.0027	0.0863
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0009	0.1408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Onchocerca volvulus		0.0016	0.0027	0.3513
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0062	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.1344
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0027	0.3513
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0027	0.0027
Echinococcus multilocularis	lamin dm0	0.0026	0.0062	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.1344
Echinococcus multilocularis	cysteine protease	0.0016	0.0027	0.0027
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0027	0.1472
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0027	0.0119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Echinococcus multilocularis	lamin	0.0026	0.0062	0.0062
Onchocerca volvulus		0.0016	0.0027	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0013	0.2065
Echinococcus granulosus	cathepsin l1	0.0011	0.0009	0.0009
Echinococcus granulosus	cathepsin l1	0.0016	0.0027	0.0027
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0009	0.1408
Loa Loa (eye worm)	fibroinase	0.0016	0.0027	0.4384
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.0009	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0027	0.0027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0012	0.1944
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Entamoeba histolytica	cysteine protease, putative	0.0016	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.006	0.9729
Onchocerca volvulus		0.0016	0.0027	0.3513
Echinococcus granulosus	lamin	0.0026	0.0062	0.0062
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0027	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0186	1
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0012	0.0666
Leishmania major	cathepsin L-like protease	0.0016	0.0027	0.0863
Echinococcus multilocularis	cysteine protease	0.0016	0.0027	0.0027
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0027	0.4426
Leishmania major	cathepsin L-like protease	0.0062	0.0186	1
Toxoplasma gondii	cathepsin CPL	0.0016	0.0027	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Brugia malayi	cathepsin L-like precursor	0.0011	0.0009	0.1408
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0027	0.0027
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0027	0.4384
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0027	0.0119
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0012	0.2004
Leishmania major	cathepsin L-like protease	0.0062	0.0186	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0027	0.0027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0009	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0027	1
Schistosoma mansoni	lamin	0.0026	0.0062	0.0269
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0015	0.0015
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0027	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0027	0.4426
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0009	0.3182
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0167	0.8997
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0027	0.0027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0027	0.4426
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0186	1
Trypanosoma brucei	cytochrome P450, putative	0.0012	0.0012	0.0666
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0027	0.4426
Brugia malayi	intermediate filament protein	0.0026	0.0062	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0027	0.4426
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0015	0.2336
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Plasmodium vivax	vivapain-2	0.0016	0.0027	1
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0012	0.1944
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0027	0.0027
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.1344
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.014	0.7525
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0186	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.082	0.2802	0.5
Schistosoma mansoni	lamin	0.0026	0.0062	0.0269
Onchocerca volvulus		0.0026	0.0062	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0027	0.4426
Loa Loa (eye worm)	cysteine protease	0.0016	0.0027	0.4384
Leishmania major	cathepsin L-like protease	0.0016	0.0027	0.0863
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0027	0.4426
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0062	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.0062	0.0062
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Plasmodium vivax	vivapain-2	0.0016	0.0027	1
Echinococcus multilocularis	thymidine phosphorylase	0.2905	1	1
Onchocerca volvulus		0.0026	0.0062	1
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.2905	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.0673	0.2292	1
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.082	0.2802	0.2793
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0027	0.4384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0013	0.2065
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1
Leishmania major	cathepsin L-like protease	0.0062	0.0186	1
Leishmania major	cathepsin L-like protease	0.0016	0.0027	0.0863
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0186	1
Loa Loa (eye worm)	ctsf protein	0.0016	0.0027	0.4384
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0027	0.3513
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.002	0.3174
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0012	0.2004
Leishmania major	cathepsin L-like protease	0.0016	0.0027	0.0863
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.002	0.3123
Echinococcus granulosus	lamin dm0	0.0026	0.0062	0.0062
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0027	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0062	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0027	1
Echinococcus multilocularis	musashi	0.0026	0.0062	0.0062
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0027	0.4384
Onchocerca volvulus		0.0016	0.0027	0.3513
Onchocerca volvulus		0.0016	0.0027	0.3513
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0027	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Mycobacterium ulcerans	thymidine phosphorylase	0.2905	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0027	0.3513
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0062	0.0269
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0009	0.1408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0062	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	1
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0012	0.0666
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0012	0.1944
Echinococcus multilocularis	microtubule associated protein 2	0.0673	0.2292	0.2292
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0009	0.0038
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0015	0.0015
Onchocerca volvulus		0.0016	0.0027	0.3513
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0027	1
Onchocerca volvulus		0.0016	0.0027	0.3513
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0027	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 13 %	Inhibition of SARS coronavirus His-3C-like protease at 100 uM	ChEMBL.	17381079
Inhibition (binding)	= 13 %	Inhibition of SARS coronavirus His-3C-like protease at 100 uM	ChEMBL.	17381079

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: CHEMBL376674
PubChem: 16203679

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 418299