TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 518.584 | Formula: C27H26N4O5S
H donors: 2 H acceptors: 4 LogP: 4.19 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCC(=O)Oc1ccc(cc1)NC(=O)Cn1cc(c2c1cccc2)/C=N/NS(=O)(=O)c1ccc(cc1)C
InChi: 1S/C27H26N4O5S/c1-3-27(33)36-22-12-10-21(11-13-22)29-26(32)18-31-17-20(24-6-4-5-7-25(24)31)16-28-30-37(34,35)23-14-8-19(2)9-15-23/h4-17,30H,3,18H2,1-2H3,(H,29,32)/b28-16+
InChiKey: SFJVOCMNRFUVRL-LQKURTRISA-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
Echinococcus granulosus	potassium voltage gated channel subfamily A	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
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
Echinococcus granulosus	potassium voltage gated channel 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
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 mansoni	voltage-gated potassium channel	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
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma japonicum	Potassium voltage-gated channel protein Shaker, putative	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
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0027	0.0724	0.0807
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0027	0.0724	0.0807
Brugia malayi	hypothetical protein	0.0026	0.0699	0.0699
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0026	0.0699	0.0699
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0026	0.0699	0.0699
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0699	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0099	0.357	0.398
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0699	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0699	0.5
Brugia malayi	regulator of G-protein signaling rgs-7	0.0026	0.0699	0.0699
Schistosoma mansoni	voltage-gated potassium channel	0.0104	0.3748	0.3748
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0699	0.0699
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0026	0.0699	0.0699
Echinococcus multilocularis	regulator of G protein signaling 7	0.0026	0.0699	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0699	0.0699
Echinococcus multilocularis	expressed protein	0.0026	0.0699	0.0779
Schistosoma mansoni	axis inhibition protein axin	0.0026	0.0699	0.0699
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0104	0.3748	0.3748
Echinococcus multilocularis	potassium voltage gated channel protein	0.0104	0.3748	0.4179
Echinococcus granulosus	axis inhibition protein axin	0.0026	0.0699	0.0779
Echinococcus granulosus	Regulator of G protein signaling 20	0.0026	0.0699	0.0779
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0263	1	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0026	0.0699	0.0779
Schistosoma mansoni	regulator of G protein signaling	0.0026	0.0699	0.0699
Schistosoma mansoni	axis inhibition protein axin	0.0026	0.0699	0.0699
Loa Loa (eye worm)	RGS-3 protein	0.0026	0.0699	0.0699
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0236	0.8969	1
Echinococcus granulosus	regulator of G protein signaling 3	0.0026	0.0699	0.0779
Echinococcus granulosus	regulator of G protein signaling 7	0.0026	0.0699	0.0779
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0236	0.8969	0.8969
Schistosoma mansoni	serine/threonine protein kinase	0.0263	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0699	0.0699
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0026	0.0699	0.0699
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0026	0.0699	0.0699
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0026	0.0699	0.0699
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0236	0.8969	0.8969
Echinococcus multilocularis	regulator of G protein signaling 7	0.0026	0.0699	0.0779
Echinococcus multilocularis	regulator of G protein signaling	0.0026	0.0699	0.0779
Schistosoma mansoni	regulator of G protein signaling	0.0026	0.0699	0.0699
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0104	0.3748	0.4179
Brugia malayi	hypothetical protein	0.0026	0.0699	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0104	0.3748	0.3748
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0027	0.0724	0.0724
Brugia malayi	regulator of G-protein signaling egl-10	0.0026	0.0699	0.0699
Schistosoma mansoni	regulator of G protein signaling	0.0026	0.0699	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0699	0.0699
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0699	0.5
Schistosoma mansoni	z-protein (S1r protein)	0.0026	0.0699	0.0699
Entamoeba histolytica	hypothetical protein	0.0026	0.0699	0.5
Brugia malayi	PXA domain containing protein	0.0026	0.0699	0.0699
Echinococcus multilocularis	axis inhibition protein axin	0.0026	0.0699	0.0779
Brugia malayi	A-kinase anchor protein 10, precursor	0.0026	0.0699	0.0699
Loa Loa (eye worm)	PXA domain-containing protein	0.0026	0.0699	0.0699
Echinococcus granulosus	potassium voltage gated channel protein	0.0104	0.3748	0.4179
Echinococcus multilocularis	axis inhibition protein axin	0.0026	0.0699	0.0779
Echinococcus granulosus	axis inhibition protein axin	0.0026	0.0699	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0699	0.0699
Entamoeba histolytica	hypothetical protein	0.0026	0.0699	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0027	0.0724	0.0724
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0026	0.0699	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0699	0.0699
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0236	0.8969	0.8969
Schistosoma mansoni	serine/threonine protein kinase	0.0027	0.0724	0.0724
Schistosoma mansoni	regulator of G protein signaling	0.0026	0.0699	0.0699
Echinococcus multilocularis	regulator of G protein signaling 3	0.0026	0.0699	0.0779
Echinococcus granulosus	expressed protein	0.0026	0.0699	0.0779
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0699	0.5
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0026	0.0699	0.5
Echinococcus granulosus	regulator of G protein signaling 3	0.0026	0.0699	0.0779
Echinococcus multilocularis	regulator of G protein signaling 3	0.0026	0.0699	0.0779
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0026	0.0699	0.0779
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0026	0.0699	0.0779
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0236	0.8969	1
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0699	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0026	0.0699	0.0699
Schistosoma mansoni	voltage-gated potassium channel	0.0104	0.3748	0.3748
Brugia malayi	PXA domain containing protein	0.0026	0.0699	0.0699
Entamoeba histolytica	hypothetical protein	0.0026	0.0699	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.14 uM	Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp technique	ChEMBL.	24071446
Inhibition (binding)		Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp technique	ChEMBL.	24071446

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: CHEMBL2440385

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 1791963