TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 504.639 | Formula: C30H37FN4O2
H donors: 2 H acceptors: 3 LogP: 4.13 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: NC(C(=O)NCC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1ccccc1)Cc1ccccc1F
InChi: 1S/C30H37FN4O2/c1-20(2)35(21(3)4)30(37)28(24-14-10-16-33-18-24)25(22-11-6-5-7-12-22)19-34-29(36)27(32)17-23-13-8-9-15-26(23)31/h5-16,18,20-21,25,27-28H,17,19,32H2,1-4H3,(H,34,36)
InChiKey: HQVBUMDWEUYFES-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, shaker-related subfamily, member 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Potassium voltage-gated channel protein Shaker, putative	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus granulosus	potassium voltage gated channel protein	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus multilocularis	potassium voltage gated channel subfamily A	Get druggable targets OG5_127659	All targets in OG5_127659
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus granulosus	potassium voltage gated channel subfamily A	Get druggable targets OG5_127659	All targets in OG5_127659
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma japonicum	ko:K04876 potassium voltage-gated channel, Shaker-related subfamily A, member, putative	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma japonicum	Potassium voltage-gated channel subfamily A member 5, putative	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus multilocularis	potassium voltage gated channel protein	Get druggable targets OG5_127659	All targets in OG5_127659

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	voltage gated potassium channel	potassium voltage-gated channel, shaker-related subfamily, member 5	613 aa	521 aa	34.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	kringle domain-containing protein	0.0427	0.438	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0308	0.2675	0.2675
Brugia malayi	Muscle positioning protein 4	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0308	0.2675	0.2675
Echinococcus granulosus	tissue type plasminogen activator	0.0427	0.438	0.9428
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0308	0.2675	0.2675
Onchocerca volvulus		0.0819	1	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Echinococcus multilocularis	fibropellin Ia	0.0155	0.0488	0.1051
Echinococcus multilocularis	protein jagged 2	0.0155	0.0488	0.1051
Loa Loa (eye worm)	hypothetical protein	0.0308	0.2675	0.2675
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	notch	0.0155	0.0488	0.0488
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0308	0.2675	0.2675
Loa Loa (eye worm)	Notch2	0.0155	0.0488	0.0488
Brugia malayi	notch-like transmembrane receptor	0.0155	0.0488	0.0488
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Brugia malayi	Calcium binding EGF domain containing protein	0.0155	0.0488	0.0488
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0313	0.2743	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0582	0.0582
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0222	0.1444	0.1444
Echinococcus multilocularis	thymidylate synthase	0.0222	0.1444	0.3108
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0582	0.0582
Echinococcus multilocularis	neurogenic locus notch protein	0.0155	0.0488	0.1051
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488
Schistosoma mansoni	septate junction protein	0.0155	0.0488	0.0488
Echinococcus multilocularis	neurogenic locus protein delta	0.0155	0.0488	0.1051
Schistosoma mansoni	egf-like domain protein	0.0308	0.2675	0.2675
Schistosoma mansoni	notch	0.0155	0.0488	0.0488
Schistosoma mansoni	slit	0.0155	0.0488	0.0488
Echinococcus multilocularis	neurogenic locus protein delta	0.0155	0.0488	0.1051
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488
Echinococcus granulosus	thymidylate synthase	0.0222	0.1444	0.3108
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	thymidylate synthase	0.0222	0.1444	0.1444
Brugia malayi	Trypsin family protein	0.0162	0.0582	0.0582
Onchocerca volvulus		0.0162	0.0582	0.0098
Onchocerca volvulus		0.0162	0.0582	0.0098
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0308	0.2675	0.5618
Loa Loa (eye worm)	hypothetical protein	0.0819	1	1
Plasmodium falciparum	cysteine repeat modular protein 1	0.0427	0.438	1
Echinococcus multilocularis	neural cadherin	0.0155	0.0488	0.1051
Brugia malayi	Fibulin-1 precursor	0.0308	0.2675	0.2675
Echinococcus granulosus	neurogenic locus notch protein 4	0.0155	0.0488	0.1051
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0445	0.4646	0.4646
Echinococcus granulosus	laminin	0.0308	0.2675	0.5757
Echinococcus multilocularis	notch	0.0155	0.0488	0.1051
Brugia malayi	hypothetical protein	0.0162	0.0582	0.0582
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Echinococcus granulosus	protein jagged 1	0.0155	0.0488	0.1051
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0162	0.0582	0.1252
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0819	1	1
Brugia malayi	Cadherin domain containing protein	0.0155	0.0488	0.0488
Schistosoma mansoni	notch	0.0155	0.0488	0.0488
Echinococcus granulosus	transmembrane protease serine 3	0.0162	0.0582	0.1252
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0252	0.187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Echinococcus granulosus	protein jagged 2	0.0155	0.0488	0.1051
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0427	0.438	1
Echinococcus granulosus	neurogenic locus protein delta	0.0155	0.0488	0.1051
Loa Loa (eye worm)	notch protein	0.0155	0.0488	0.0488
Schistosoma mansoni	notch	0.0155	0.0488	0.0488
Echinococcus multilocularis	fibrillin 1	0.0308	0.2675	0.5757
Onchocerca volvulus		0.0657	0.7677	0.7558
Brugia malayi	Trypsin-like protease protein 5	0.0162	0.0582	0.0582
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	laminin gamma-3 chain	0.0155	0.0488	0.0488
Schistosoma mansoni	voltage-gated potassium channel	0.0298	0.2536	0.2536
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0273	0.2181	0.4693
Loa Loa (eye worm)	TK/ROR protein kinase	0.0427	0.438	0.438
Echinococcus granulosus	neural cadherin	0.0155	0.0488	0.1051
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0162	0.0582	0.0582
Brugia malayi	Calcium binding EGF domain containing protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0313	0.2743	0.5793
Echinococcus granulosus	enteropeptidase	0.0445	0.4646	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0427	0.438	1
Echinococcus granulosus	fibropellin Ia	0.0155	0.0488	0.1051
Onchocerca volvulus		0.0427	0.438	0.4092
Onchocerca volvulus	Arrow homolog	0.0308	0.2675	0.2299
Echinococcus granulosus	slit 2 protein	0.0155	0.0488	0.1051
Echinococcus granulosus	protein jagged 2	0.0155	0.0488	0.1051
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Echinococcus granulosus	delta-like protein 1	0.0155	0.0488	0.1051
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0162	0.0582	0.0582
Echinococcus multilocularis	protein jagged 1	0.0155	0.0488	0.1051
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0162	0.0582	0.1252
Onchocerca volvulus		0.0222	0.1444	0.1005
Echinococcus multilocularis	transmembrane protease serine 3	0.0162	0.0582	0.1252
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Echinococcus multilocularis	slit 2 protein	0.0155	0.0488	0.1051
Echinococcus granulosus	neurogenic locus notch protein	0.0155	0.0488	0.1051
Brugia malayi	Delta serrate ligand family protein	0.0155	0.0488	0.0488
Schistosoma mansoni	notch	0.0155	0.0488	0.0488
Onchocerca volvulus		0.0162	0.0582	0.0098
Schistosoma mansoni	hypothetical protein	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0273	0.2181	0.2181
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0252	0.187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Giardia lamblia	High cysteine protein	0.0155	0.0488	0.5
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0162	0.0582	0.1252
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0162	0.0582	0.0582
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Brugia malayi	Calcium binding EGF domain containing protein	0.0308	0.2675	0.2675
Loa Loa (eye worm)	hypothetical protein	0.0308	0.2675	0.2675
Brugia malayi	GCC2 and GCC3 family protein	0.0155	0.0488	0.0488
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0155	0.0488	0.1051
Brugia malayi	Trypsin family protein	0.0162	0.0582	0.0582
Echinococcus multilocularis	glycoprotein Antigen 5	0.0445	0.4646	1
Loa Loa (eye worm)	hypothetical protein	0.0819	1	1
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0308	0.2675	0.2675
Loa Loa (eye worm)	trypsin family protein	0.0162	0.0582	0.0582
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Echinococcus multilocularis	Tolloid protein 1	0.0308	0.2675	0.5757
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0222	0.1444	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0162	0.0582	0.0582
Brugia malayi	Trypsin family protein	0.0162	0.0582	0.0582
Onchocerca volvulus		0.0162	0.0582	0.0098
Echinococcus multilocularis	laminin	0.0308	0.2675	0.5757
Mycobacterium ulcerans	thymidylate synthase	0.0222	0.1444	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0155	0.0488	0.1051
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	voltage-gated potassium channel	0.0298	0.2536	0.2536
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0162	0.0582	0.0582
Echinococcus granulosus	glycoprotein Antigen 5	0.0445	0.4646	1
Echinococcus multilocularis	protein jagged 1	0.0155	0.0488	0.1051
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Echinococcus granulosus	Tolloid protein 1	0.0308	0.2675	0.5757
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0308	0.2675	0.2675
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0273	0.2181	0.2181
Brugia malayi	Kringle domain containing protein	0.0427	0.438	0.438
Brugia malayi	Protein kinase domain containing protein	0.0427	0.438	0.438
Echinococcus granulosus	notch	0.0155	0.0488	0.1051
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Onchocerca volvulus		0.0162	0.0582	0.0098
Echinococcus multilocularis	Mastin	0.0445	0.4646	1
Loa Loa (eye worm)	hypothetical protein	0.0308	0.2675	0.2675
Brugia malayi	thymidylate synthase	0.0222	0.1444	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0582	0.0582
Echinococcus granulosus	Mastin	0.0445	0.4646	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0488	0.0488
Leishmania major	hypothetical protein, conserved	0.0427	0.438	1
Brugia malayi	Cadherin domain containing protein	0.0155	0.0488	0.0488
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0162	0.0582	0.1252
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Schistosoma mansoni	hypothetical protein	0.0162	0.0582	0.0582
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0308	0.2675	0.5618
Echinococcus granulosus	protein jagged 1	0.0155	0.0488	0.1051
Schistosoma mansoni	hypothetical protein	0.0155	0.0488	0.0488
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0819	1	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.167	0.167
Echinococcus multilocularis	tissue type plasminogen activator	0.0427	0.438	0.9428
Echinococcus multilocularis	enteropeptidase	0.0445	0.4646	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0273	0.2181	0.4693
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0162	0.0582	0.0582
Schistosoma mansoni	hypothetical protein	0.0427	0.438	0.438
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0155	0.0488	0.0488
Schistosoma mansoni	cercarial elastase (S01 family)	0.0162	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0427	0.438	0.438
Schistosoma mansoni	notch	0.0155	0.0488	0.0488
Schistosoma mansoni	cell polarity protein	0.0155	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0308	0.2675	0.2675
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0222	0.1444	0.5
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0155	0.0488	0.1051
Echinococcus granulosus	neurogenic locus notch protein	0.0155	0.0488	0.1051
Brugia malayi	EGF-like domain containing protein	0.0155	0.0488	0.0488

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1310 nM	Inhibition of Kv1.5	ChEMBL.	16949818
IC50 (binding)	= 1310 nM	Inhibition of Kv1.5	ChEMBL.	16949818

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

1 literature reference was collected for this gene.

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Detailed information for compound 376151