TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.666 | Formula: C13H7ClFN3O
H donors: 1 H acceptors: 3 LogP: 2.47 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1F)C(=O)Nc1ccc(nc1)Cl
InChi: 1S/C13H7ClFN3O/c14-12-4-3-10(7-17-12)18-13(19)8-1-2-9(6-16)11(15)5-8/h1-5,7H,(H,18,19)
InChiKey: LPHSVGPLIZRCPP-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 voltage-gated channel, KQT-like subfamily, member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma mansoni	voltage-gated potassium channel KCNQ	Get druggable targets OG5_129255	All targets in OG5_129255
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma japonicum	ko:K05324 potassium voltage-gated channel, KQT-like subfamily, invertebrate, putative	Get druggable targets OG5_129255	All targets in OG5_129255
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	Get druggable targets OG5_129255	All targets in OG5_129255
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	Get druggable targets OG5_129255	All targets in OG5_129255
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	Get druggable targets OG5_129255	All targets in OG5_129255
Loa Loa (eye worm)	voltage-gated potassium channel	Get druggable targets OG5_129255	All targets in OG5_129255
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	Get druggable targets OG5_129255	All targets in OG5_129255
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	Get druggable targets OG5_129255	All targets in OG5_129255
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma japonicum	ko:K04927 potassium voltage-gated channel, KQT-like subfamily, member 2, putative	Get druggable targets OG5_129255	All targets in OG5_129255

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
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.0908	1
Schistosoma mansoni	multidrug resistance protein	0.0028	0.0908	0.0244
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0027	0.0883	0.0671
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0028	0.0908	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0656	0.0668
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0028	0.0908	0.0696
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0024	0.068	0.0693
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0028	0.0908	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4049	0.4124
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0024	0.068	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0883	0.09
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Giardia lamblia	MRP-like ABC transporter	0.0024	0.068	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.0908	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Plasmodium falciparum	multidrug resistance protein 1	0.0028	0.0908	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.068	0.0693
Entamoeba histolytica	P-glycoprotein-1	0.0028	0.0908	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0028	0.0908	0.0925
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0024	0.068	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0028	0.0908	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0028	0.0908	0.0696
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0174	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0028	0.0908	0.0696
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0028	0.0908	1
Entamoeba histolytica	P-glycoprotein-5	0.0028	0.0908	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0024	0.068	0.5
Echinococcus multilocularis	multidrug resistance protein 1	0.0028	0.0908	0.0696
Leishmania major	p-glycoprotein	0.0028	0.0908	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0028	0.0908	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0024	0.068	0.0693
Echinococcus granulosus	multidrug resistance associated protein 1	0.0024	0.068	0.0463
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0078	0.4049	0.391
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0908	0.0925
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0024	0.068	0.0463
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Trichomonas vaginalis	ABC transporter, putative	0.0028	0.0908	1
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0078	0.4049	0.391
Echinococcus granulosus	multidrug resistance protein 1	0.0028	0.0908	0.0696
Entamoeba histolytica	P-glyco protein 6, putative	0.0028	0.0908	1
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0174	1	1
Schistosoma mansoni	multidrug resistance protein	0.0028	0.0908	0.0244
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0078	0.4049	0.4124
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0028	0.0908	1
Loa Loa (eye worm)	voltage-gated potassium channel	0.0171	0.9817	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0028	0.0908	0.0696
Brugia malayi	ABC transporter family protein	0.0028	0.0908	0.0244
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0027	0.0883	0.0671
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0024	0.068	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0024	0.068	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.0908	1
Echinococcus granulosus	multidrug resistance associated protein 7	0.0024	0.068	0.0463
Giardia lamblia	Multidrug resistance-associated protein 1	0.0024	0.068	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0028	0.0908	0.0696
Trichomonas vaginalis	abcb9, putative	0.0028	0.0908	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0028	0.0908	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0024	0.068	1
Entamoeba histolytica	P-glycoprotein-2	0.0028	0.0908	1
Schistosoma mansoni	multidrug resistance protein	0.0028	0.0908	0.0244
Entamoeba histolytica	P-glycoprotein-2	0.0028	0.0908	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0028	0.0908	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0028	0.0908	0.0696
Trypanosoma brucei	p-glycoprotein	0.0024	0.068	0.5
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0024	0.068	0.0463
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0028	0.0908	0.0696
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0028	0.0908	0.0696
Onchocerca volvulus		0.0028	0.0908	0.5
Trichomonas vaginalis	abcb9, putative	0.0028	0.0908	1
Trichomonas vaginalis	abcb9, putative	0.0028	0.0908	1
Trichomonas vaginalis	ABC transporter, putative	0.0028	0.0908	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0028	0.0908	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0028	0.0908	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0028	0.0908	0.5
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0174	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0908	0.0925
Trichomonas vaginalis	taga, putative	0.0028	0.0908	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0028	0.0908	0.0696
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0028	0.0908	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.0908	1
Trichomonas vaginalis	ABC transporter, putative	0.0028	0.0908	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0028	0.0908	1
Echinococcus granulosus	multidrug resistance protein 1	0.0028	0.0908	0.0696
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0028	0.0908	0.5
Brugia malayi	multidrug resistance protein 3	0.0028	0.0908	0.0244
Giardia lamblia	ABC transporter, putative	0.0024	0.068	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0028	0.0908	0.5
Schistosoma mansoni	smdr2	0.0028	0.0908	0.0244
Echinococcus granulosus	multidrug resistance protein 1	0.0028	0.0908	0.0696
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0028	0.0908	1
Trypanosoma brucei	multidrug resistance protein E	0.0024	0.068	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.4049	0.4124

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 1.1 uM	Agonist activity at KCNQ2/KCNQ3 expressed in CHO cells assessed as increase in KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induction by liquid scintillation counting	ChEMBL.	24900334
IC50 (functional)	= 51 uM	Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induction by liquid scintillation counting	ChEMBL.	24900334

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: CHEMBL2047507

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 1695139