TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 295.329 | Formula: C14H14FNO3S
H donors: 0 H acceptors: 2 LogP: 2.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CSC2(N1C(=O)CC2)C)Oc1cccc(c1)F
InChi: 1S/C14H14FNO3S/c1-14-6-5-12(17)16(14)11(8-20-14)13(18)19-10-4-2-3-9(15)7-10/h2-4,7,11H,5-6,8H2,1H3
InChiKey: HGKTYMKGLJVTKR-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	polymerase (DNA directed), eta	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana		Get druggable targets OG5_128521	All targets in OG5_128521
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128521	All targets in OG5_128521
Trypanosoma cruzi	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania major	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Trypanosoma brucei	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Neospora caninum	Pc21g17280 protein, related	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus multilocularis	dna polymerase eta	Get druggable targets OG5_128521	All targets in OG5_128521
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K03509 DNA polymerase eta subunit, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania infantum	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania major	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	ImpB/MucB/SamB family protein	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions	Get druggable targets OG5_128521	All targets in OG5_128521
Trypanosoma congolense	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	ImpB/MucB/SamB family protein	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania mexicana	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Trypanosoma brucei gambiense	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Cryptosporidium parvum	DinB/family X-type DNA polymerase	Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma japonicum	ko:K03509 DNA polymerase eta subunit, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus granulosus	dna polymerase eta	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	DNA polymerase eta	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania infantum	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Candida albicans	similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions	Get druggable targets OG5_128521	All targets in OG5_128521

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	DNA polymerase eta, putative	0.0038	0.5597	0.4775
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.1847	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.1847	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Trypanosoma cruzi	DNA polymerase eta, putative	0.0038	0.5597	0.4775
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.1847	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.1847	0.1904
Brugia malayi	ImpB/MucB/SamB family protein	0.0054	0.9701	0.9633
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.1847	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0054	0.9701	0.9633
Trypanosoma brucei	DNA polymerase eta, putative	0.0054	0.9701	1
Leishmania major	DNA polymerase eta, putative	0.0054	0.9701	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0054	0.9701	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	1	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0038	0.5597	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.1847	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.1847	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.1847	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Trypanosoma brucei	unspecified product	0.0023	0.1847	0.1904
Giardia lamblia	DINP protein human, muc B family	0.0023	0.1847	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.1847	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	1	1
Echinococcus multilocularis	dna polymerase eta	0.0054	0.9701	0.9633
Echinococcus granulosus	dna polymerase eta	0.0054	0.9701	0.9633
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.1847	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.1847	0.1904
Schistosoma mansoni	DNA polymerase eta	0.0054	0.9701	0.9633

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference

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: CHEMBL1884696

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1582248