TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 384.351 | Formula: C21H15F3N2O2
H donors: 2 H acceptors: 2 LogP: 4.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccc(c1)C(F)(F)F)Nc1cccc(c1)NC(=O)c1ccccc1
InChi: 1S/C21H15F3N2O2/c22-21(23,24)16-9-4-8-15(12-16)20(28)26-18-11-5-10-17(13-18)25-19(27)14-6-2-1-3-7-14/h1-13H,(H,25,27)(H,26,28)
InChiKey: UZTAIVYOAUVHIK-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	potassium channel, subfamily K, member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	Get druggable targets OG5_130595	All targets in OG5_130595
Echinococcus granulosus	Two pore potassium channel protein sup 9	Get druggable targets OG5_130595	All targets in OG5_130595
Echinococcus multilocularis	Two pore potassium channel protein sup 9	Get druggable targets OG5_130595	All targets in OG5_130595
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130595	All targets in OG5_130595
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130595	All targets in OG5_130595
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130595	All targets in OG5_130595
Schistosoma mansoni	twik family of potassium channels-related	Get druggable targets OG5_130595	All targets in OG5_130595
Schistosoma japonicum	ko:K05323 potassium channel, subfamily K, invertebrate, putative	Get druggable targets OG5_130595	All targets in OG5_130595

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	potassium channel, subfamily K, member 3	394 aa	450 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	dihydrofolate reductase	0.1798	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0075	0.5
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0717	0.3937	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0028	0.0075	0.0075
Echinococcus multilocularis	potassium channel subfamily K	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0028	0.0075	0.0075
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0036	0.012	0.012
Loa Loa (eye worm)	uncoordinated protein 58	0.0028	0.0075	0.0075
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0036	0.012	0.012
Echinococcus granulosus	potassium channel subfamily K 8	0.0028	0.0075	0.0075
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.1798	1	1
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0028	0.0075	0.0075
Echinococcus multilocularis	serotonin receptor	0.0096	0.0455	0.0455
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Toxoplasma gondii	ion channel protein	0.0028	0.0075	0.0191
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0075	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0028	0.0075	0.0191
Trypanosoma cruzi	PAB1-binding protein , putative	0.0018	0.0021	0.0053
Loa Loa (eye worm)	TWK-28 protein	0.0028	0.0075	0.0075
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Leishmania major	hypothetical protein, conserved	0.0028	0.0075	0.0191
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0028	0.0075	0.0075
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Echinococcus granulosus	small conductance calcium activated potassium	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0028	0.0075	0.0075
Echinococcus multilocularis	potassium channel subfamily K 8	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0028	0.0075	0.0191
Entamoeba histolytica	hypothetical protein	0.0071	0.0318	0.1949
Echinococcus granulosus	twik family of potassium channels	0.0028	0.0075	0.0075
Echinococcus multilocularis	calcium activated potassium channel variant	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0071	0.0316	0.0316
Loa Loa (eye worm)	TWK-7 protein	0.0028	0.0075	0.0075
Brugia malayi	Dihydrofolate reductase	0.1798	1	1
Schistosoma mansoni	calcium-activated potassium channel	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.002	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	dihydrofolate reductase	0.1798	1	1
Loa Loa (eye worm)	hypothetical protein	0.0462	0.2507	0.2507
Toxoplasma gondii	LsmAD domain-containing protein	0.0018	0.0021	0.0053
Schistosoma mansoni	twik family of potassium channels-related	0.0462	0.2507	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Echinococcus granulosus	calcium activated potassium channel variant	0.0028	0.0075	0.0075
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0075	0.5
Echinococcus granulosus	potassium channel subfamily K	0.0028	0.0075	0.0075
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0717	0.3937	1
Trypanosoma cruzi	ion transport protein, putative	0.0028	0.0075	0.0191
Schistosoma mansoni	calcium-activated potassium channel	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0028	0.0075	0.0139
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0021
Echinococcus multilocularis	serotonin receptor	0.0096	0.0455	0.0455
Giardia lamblia	DNA repair protein RAD52	0.025	0.1319	1
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0071	0.0316	0.0316
Mycobacterium ulcerans	transmembrane cation transporter	0.0028	0.0075	0.0075
Echinococcus granulosus	dihydrofolate reductase	0.1798	1	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Leishmania major	hypothetical protein, conserved	0.0028	0.0075	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0434	0.2351	0.2351
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0028	0.0075	0.0075
Schistosoma mansoni	hypothetical protein	0.0028	0.0075	0.0075
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0717	0.3937	1
Toxoplasma gondii	ion channel protein	0.0028	0.0075	0.0191
Trypanosoma cruzi	ion transport protein, putative	0.0028	0.0075	0.0191
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0071	0.0318	0.1949
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0028	0.0075	0.0075
Brugia malayi	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0455	0.0455
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Schistosoma mansoni	hypothetical protein	0.0028	0.0075	0.0075
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Echinococcus multilocularis	potassium channel subfamily K 8	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0028	0.0075	0.0075
Echinococcus granulosus	twik family of potassium channels	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0021
Plasmodium falciparum	potassium channel	0.0028	0.0075	0.0191
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0028	0.0075	0.0075
Leishmania major	ion transport protein-like protein	0.0028	0.0075	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0349	0.0349
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0075	0.5
Plasmodium vivax	potassium channel, putative	0.0028	0.0075	0.0191
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0462	0.2507	0.2507
Plasmodium falciparum	potassium channel	0.0028	0.0075	0.0191
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.1798	1	1
Leishmania major	potassium channel subunit-like protein	0.0028	0.0075	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0462	0.2507	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0316	0.0316
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0075	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0028	0.0075	0.0075
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0028	0.0075	0.0139
Schistosoma mansoni	calcium-activated potassium channel	0.0028	0.0075	0.0075
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0028	0.0075	0.0075
Schistosoma mansoni	twik family of potassium channels-related	0.0028	0.0075	0.0075
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0717	0.3937	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0075	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Echinococcus multilocularis	dihydrofolate reductase	0.1798	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0057	0.0057
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.025	0.1319	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0096	0.0455	0.0455
Echinococcus multilocularis	twik family of potassium channels	0.0028	0.0075	0.0075
Brugia malayi	latrophilin 2 splice variant baaae	0.0024	0.0057	0.0057
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0028	0.0075	0.0075
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0717	0.3937	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0096	0.0455	0.0455
Plasmodium vivax	potassium channel, putative	0.0028	0.0075	0.0191
Brugia malayi	amine oxidase, flavin-containing family protein	0.002	0.0034	0.0034
Onchocerca volvulus		0.0077	0.0349	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0028	0.0075	0.0075
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0028	0.0075	0.0075
Plasmodium falciparum	ataxin-2 like protein, putative	0.0018	0.0021	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0075	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0455	0.0455
Echinococcus granulosus	potassium channel subfamily K 8	0.0028	0.0075	0.0075
Leishmania major	calcium/potassium channel (CAKC), putative	0.0028	0.0075	0.0191
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0028	0.0075	0.0191
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0028	0.0075	0.0075
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0717	0.3937	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0036	0.012	0.012
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0028	0.0075	0.0191
Schistosoma mansoni	hypothetical protein	0.0024	0.0057	0.0057
Brugia malayi	SWIRM domain containing protein	0.0077	0.0349	0.0349
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0071	0.0316	0.0316
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0462	0.2507	0.2507
Chlamydia trachomatis	dihydrofolate reductase	0.1798	1	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0028	0.0075	0.0075
Plasmodium vivax	ataxin-2 like protein, putative	0.0018	0.0021	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0075
Brugia malayi	hypothetical protein	0.0028	0.0075	0.0075
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.1798	1	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0028	0.0075	0.0075
Mycobacterium ulcerans	ion transport protein	0.0028	0.0075	0.0075
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0036	0.012	0.012
Plasmodium falciparum	ataxin-2 like protein, putative	0.0018	0.0021	0.0053
Trypanosoma cruzi	PAB1-binding protein , putative	0.0018	0.0021	0.0053
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0462	0.2507	0.2507

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0.157 uM	PubChem BioAssay. SAR Analysis for the identification of inhibitors of the two-pore domain potassium channel TASK1 (KCNK3). (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (binding)	= 0.16 uM	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay	ChEMBL.	25017033
IC50 (binding)	> 30 uM	Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay	ChEMBL.	25017033
Inhibition (binding)	= 94.6 %	Inhibition of TASK-1 (unknown origin) expressed in CHO cells at 3 uM by thallium flux assay	ChEMBL.	25017033

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: CHEMBL3186946

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 1871667