TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.427 | Formula: C21H24N2O3
H donors: 2 H acceptors: 2 LogP: 3.81 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)C1CCCC1
InChi: 1S/C21H24N2O3/c1-2-26-19-12-10-17(11-13-19)22-21(25)16-8-5-9-18(14-16)23-20(24)15-6-3-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,22,25)(H,23,24)
InChiKey: VMIJBBHLQPJHCD-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	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K05323 potassium channel, subfamily K, invertebrate, putative	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
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

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
Echinococcus granulosus	thioredoxin glutathione reductase	0.0043	0.0389	0.1095
Plasmodium vivax	thioredoxin reductase, putative	0.0043	0.0389	1
Brugia malayi	glutathione reductase	0.0043	0.0389	0.1095
Schistosoma mansoni	gabp alpha	0.0064	0.0674	0.2281
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0099	0.1151	0.8837
Schistosoma mansoni	ets-related	0.0195	0.2466	0.8347
Brugia malayi	Zinc finger, C2H2 type family protein	0.0274	0.3552	1
Trypanosoma brucei	trypanothione reductase	0.0043	0.0389	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0601	0.0844
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.011	0.1303	1
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0231	0.2954	0.8316
Schistosoma mansoni	hypothetical protein	0.015	0.1853	0.6273
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0329	0.0925
Echinococcus multilocularis	short transient receptor potential channel 6	0.0115	0.137	0.137
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0231	0.2954	0.8316
Brugia malayi	Ets-domain containing protein	0.0064	0.0674	0.1897
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0329	0.0329
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0065	0.068	0.068
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0274	0.3552	0.3552
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0015	0	0.5
Echinococcus granulosus	transient receptor potential ion channel A	0.0168	0.2097	0.5904
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0015	0	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0099	0.1151	0.8837
Brugia malayi	Transient-receptor-potential like protein	0.0065	0.068	0.1914
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0043	0.0389	0.2985
Loa Loa (eye worm)	fli-1 protein	0.0195	0.2466	0.6629
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0	0.5
Echinococcus multilocularis	transient receptor potential ion channel A	0.0168	0.2097	0.2097
Trichomonas vaginalis	glutathione reductase, putative	0.0015	0	0.5
Echinococcus granulosus	TRP transient receptor potential channel	0.0065	0.068	0.1914
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0329	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2954	0.8144
Schistosoma mansoni	transient receptor potential channel	0.0174	0.2177	0.7369
Leishmania major	trypanothione reductase	0.0043	0.0389	1
Schistosoma mansoni	transient receptor potential channel	0.0115	0.137	0.4638
Echinococcus granulosus	geminin	0.015	0.1853	0.5217
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0099	0.1151	0.8837
Loa Loa (eye worm)	glutathione reductase	0.0043	0.0389	0.0187
Plasmodium vivax	glutathione reductase, putative	0.0043	0.0389	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0546	0.0675
Plasmodium falciparum	glutathione reductase	0.0043	0.0389	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0329	0.1113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0329	0.1113
Echinococcus granulosus	transient receptor potential gamma protein	0.0174	0.2177	0.6128
Trypanosoma cruzi	trypanothione reductase, putative	0.0043	0.0389	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0064	0.0674	0.1071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0329	0.0329
Echinococcus multilocularis	short transient receptor potential channel 6	0.0115	0.137	0.137
Mycobacterium tuberculosis	Probable oxidoreductase	0.011	0.1303	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0015	0	0.5
Mycobacterium tuberculosis	Probable reductase	0.0099	0.1151	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2954	0.8144
Echinococcus multilocularis	geminin	0.015	0.1853	0.1853
Loa Loa (eye worm)	thioredoxin reductase	0.0043	0.0389	0.0187
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0099	0.1151	0.8837
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.011	0.1303	1
Brugia malayi	Fli-1 protein	0.0195	0.2466	0.6941
Loa Loa (eye worm)	hypothetical protein	0.0109	0.129	0.2984
Toxoplasma gondii	thioredoxin reductase	0.0043	0.0389	1
Brugia malayi	Thioredoxin reductase	0.0043	0.0389	0.1095
Loa Loa (eye worm)	hypothetical protein	0.0065	0.068	0.109
Loa Loa (eye worm)	zinc finger protein	0.0274	0.3552	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.011	0.1303	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0115	0.137	0.3857
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2764	0.7554
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0231	0.2954	1
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0231	0.2954	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0174	0.2177	0.5733
Brugia malayi	Ets-domain containing protein	0.0064	0.0674	0.1897
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0039	0.0329	0.0925
Echinococcus granulosus	zinc finger transcription factor gli2	0.0274	0.3552	1
Treponema pallidum	NADH oxidase	0.0015	0	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0099	0.1151	0.8837
Echinococcus granulosus	GA binding protein alpha chain	0.0064	0.0674	0.1897
Plasmodium falciparum	thioredoxin reductase	0.0043	0.0389	1
Trichomonas vaginalis	mercuric reductase, putative	0.0015	0	0.5
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0015	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0329	0.0925
Schistosoma mansoni	transient receptor potential channel	0.0115	0.137	0.4638
Echinococcus multilocularis	transient receptor potential gamma protein	0.0174	0.2177	0.2177
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0043	0.0389	0.0389
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0015	0	0.5
Schistosoma mansoni	transient receptor potential channel 4	0.0174	0.2177	0.7369
Schistosoma mansoni	hypothetical protein	0.015	0.1853	0.6273
Echinococcus multilocularis	GA binding protein alpha chain	0.0064	0.0674	0.0674
Echinococcus granulosus	short transient receptor potential channel 6	0.0115	0.137	0.3857

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0.07 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

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: CHEMBL3182768

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1868302