TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 427.419 | Formula: C23H20F3N3O2
H donors: 1 H acceptors: 3 LogP: 2.61 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1nn(c2c1CN(CC2)C(=O)C)[C@H]1[C@H](O)Cc2c1cc(F)cc2F
InChi: 1S/C23H20F3N3O2/c1-12(30)28-7-6-20-18(11-28)22(13-2-4-14(24)5-3-13)27-29(20)23-17-8-15(25)9-19(26)16(17)10-21(23)31/h2-5,8-9,21,23,31H,6-7,10-11H2,1H3/t21-,23-/m1/s1
InChiKey: WEICWGGKMQKLHX-FYYLOGMGSA-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	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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 japonicum	ko:K05323 potassium channel, subfamily K, invertebrate, putative	Get druggable targets OG5_130595	All targets in OG5_130595
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
Schistosoma mansoni	twik family of potassium channels-related	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

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
Leishmania major	ion transport protein-like protein	0.0014	0.0248	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0014	0.0248	0.0248
Trypanosoma cruzi	ion transport protein, putative	0.0014	0.0248	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0231	1	1
Onchocerca volvulus		0.0014	0.0248	0.5
Loa Loa (eye worm)	TWK-28 protein	0.0014	0.0248	0.0248
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.1701	0.1701
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0014	0.0248	0.0248
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0014	0.0248	0.0248
Leishmania major	potassium channel subunit-like protein	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0175	0.0175
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0175	0.0175
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0014	0.0248	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0231	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0231	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0175	0.0175
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0042	0.1526	0.1526
Echinococcus multilocularis	twik family of potassium channels	0.0014	0.0248	0.0248
Loa Loa (eye worm)	TWK-7 protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0014	0.0248	0.0248
Plasmodium falciparum	potassium channel	0.0014	0.0248	0.5
Toxoplasma gondii	ion channel protein	0.0014	0.0248	0.5
Brugia malayi	hypothetical protein	0.0014	0.0248	0.0248
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0248	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0014	0.0248	0.0248
Leishmania major	calcium/potassium channel (CAKC), putative	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1275	0.1275
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0014	0.0248	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0042	0.1526	0.1526
Brugia malayi	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0014	0.0248	0.0248
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Onchocerca volvulus		0.0014	0.0248	0.5
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0014	0.0248	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Onchocerca volvulus		0.0014	0.0248	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.2026	1
Echinococcus granulosus	twik family of potassium channels	0.0014	0.0248	0.0248
Schistosoma mansoni	calcium-activated potassium channel	0.0014	0.0248	0.0248
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0248	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0014	0.0248	0.0248
Echinococcus granulosus	twik family of potassium channels	0.0014	0.0248	0.0248
Trypanosoma cruzi	ion transport protein, putative	0.0014	0.0248	0.5
Loa Loa (eye worm)	uncoordinated protein 58	0.0014	0.0248	0.0248
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0014	0.0248	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.1701	0.1701
Plasmodium vivax	potassium channel, putative	0.0014	0.0248	0.5
Plasmodium vivax	potassium channel, putative	0.0014	0.0248	0.5
Echinococcus multilocularis	potassium channel subfamily K	0.0014	0.0248	0.0248
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0019	0.0499	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Toxoplasma gondii	ion channel protein	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.1526	0.1526
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0014	0.0248	0.0248
Onchocerca volvulus		0.0014	0.0248	0.5
Echinococcus granulosus	small conductance calcium activated potassium	0.0014	0.0248	0.0248
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.2026	1
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0014	0.0248	0.0248
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0014	0.0248	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.1526	0.1526
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Echinococcus multilocularis	potassium channel subfamily K 8	0.0014	0.0248	0.0248
Mycobacterium ulcerans	ion transport protein	0.0014	0.0248	0.5
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0014	0.0248	0.0248
Leishmania major	hypothetical protein, conserved	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0014	0.0248	0.0248
Onchocerca volvulus		0.0014	0.0248	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0019	0.0499	0.2465
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0175	0.0175
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0014	0.0248	0.0248
Echinococcus multilocularis	small conductance calcium activated potassium	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Plasmodium falciparum	potassium channel	0.0014	0.0248	0.5
Onchocerca volvulus		0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0175	0.0175
Onchocerca volvulus		0.0014	0.0248	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0014	0.0248	0.1225
Schistosoma mansoni	hypothetical protein	0.0014	0.0248	0.0248
Onchocerca volvulus		0.0014	0.0248	0.5
Giardia lamblia	Hypothetical protein	0.0014	0.0248	0.5
Echinococcus granulosus	calcium activated potassium channel variant	0.0014	0.0248	0.0248
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0175	0.0175
Schistosoma mansoni	twik family of potassium channels-related	0.0014	0.0248	0.0248
Echinococcus granulosus	potassium channel subfamily K	0.0014	0.0248	0.0248
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0014	0.0248	0.0248
Echinococcus granulosus	potassium channel subfamily K 8	0.0014	0.0248	0.0248
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Schistosoma mansoni	calcium-activated potassium channel	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0014	0.0248	0.0248
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0014	0.0248	0.5
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0014	0.0248	0.0248
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0231	1	1
Leishmania major	hypothetical protein, conserved	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0217	0.9375	0.9375
Echinococcus granulosus	potassium channel subfamily K 8	0.0014	0.0248	0.0248
Echinococcus multilocularis	calcium activated potassium channel variant	0.0014	0.0248	0.0248
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0014	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0248
Mycobacterium ulcerans	transmembrane cation transporter	0.0014	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0231	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0175	0.0175

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 495 nM	BindingDB_Patents: Inhibition Assay. Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently, TASK- 1 -encoding RNA synthesized in vitro was injected into oocytes. After two days of TASK-1 protein expression, TASK-1 currents were measured by two-microelectrode voltage clamp. Data were acquired and analyzed using a TEC-10cx amplifier (NPI Electronic, Tamm, Germany) connected to an ITC-16 interface (Instrutech Corp., Long Island, USA) and Pulse software (HEKA Elektronik, Lambrecht, Germany). Oocytes were clamped to -90 mV and TASK-1 mediated currents were measured during 500 ms voltage pulses to 40 mV. Oocytes were continuously superfused with ND96 buffer containing: NaCI 96 mM, KCI2 mM, CaCI21.8 mM, MgCI21 mM, HEPES 5 mM (pH adjusted to 7.4 with NaOH).	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

No external resources registered for this compound

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 1989555