TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485.683 | Formula: C30H35N3OS
H donors: 0 H acceptors: 2 LogP: 6.01 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CSc1ccc(cc1)CN1CCC(CC1)C(N(C(=O)c1ccccn1)C1CC1)Cc1ccccc1
InChi: 1S/C30H35N3OS/c1-35-27-14-10-24(11-15-27)22-32-19-16-25(17-20-32)29(21-23-7-3-2-4-8-23)33(26-12-13-26)30(34)28-9-5-6-18-31-28/h2-11,14-15,18,25-26,29H,12-13,16-17,19-22H2,1H3
InChiKey: UGUUUIQPLPQCHQ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Giardia lamblia	Hypothetical protein	0.0064	0.02	0.5
Onchocerca volvulus		0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0064	0.02	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1759	0.1736
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0064	0.02	1
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0064	0.02	1
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0064	0.02	0.5
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0064	0.02	0.0107
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Schistosoma mansoni	calcium-activated potassium channel	0.1431	1	1
Echinococcus multilocularis	twik family of potassium channels	0.0064	0.02	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Echinococcus multilocularis	potassium channel subfamily K	0.0064	0.02	0.0107
Schistosoma mansoni	calcium-activated potassium channel	0.1257	0.875	0.8741
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0064	0.02	1
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0064	0.02	0.0173
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.02	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0064	0.02	0.5
Echinococcus multilocularis	serotonin receptor	0.0282	0.1759	0.168
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Schistosoma mansoni	hypothetical protein	0.1431	1	1
Loa Loa (eye worm)	hypothetical protein	0.0595	0.4	0.3984
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.1431	1	1
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0064	0.02	0.5
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0064	0.02	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0064	0.02	0.5
Plasmodium vivax	potassium channel, putative	0.0064	0.02	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0064	0.02	0.0107
Leishmania major	hypothetical protein, conserved	0.0064	0.02	0.5
Plasmodium falciparum	potassium channel	0.0064	0.02	0.5
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0064	0.02	0.0107
Echinococcus granulosus	twik family of potassium channels	0.0064	0.02	0.0107
Loa Loa (eye worm)	TWK-7 protein	0.0064	0.02	0.0173
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0064	0.02	1
Echinococcus multilocularis	potassium channel subfamily K 8	0.0064	0.02	0.0107
Echinococcus multilocularis	small conductance calcium activated potassium	0.1431	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Echinococcus multilocularis	potassium channel subfamily K 8	0.0064	0.02	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0064	0.02	0.0107
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	hypothetical protein	0.0064	0.02	1
Toxoplasma gondii	ion channel protein	0.0064	0.02	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Schistosoma mansoni	amine GPCR	0.0732	0.4983	0.4949
Schistosoma mansoni	calcium-activated potassium channel	0.0064	0.02	0.0134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0064	0.02	1
Schistosoma mansoni	hypothetical protein	0.0064	0.02	0.0134
Echinococcus multilocularis	calcium activated potassium channel variant	0.0064	0.02	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Onchocerca volvulus		0.0064	0.02	0.5
Leishmania major	hypothetical protein, conserved	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0662	0.4487	0.4472
Leishmania major	potassium channel subunit-like protein	0.0064	0.02	0.5
Onchocerca volvulus		0.0064	0.02	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.02	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0064	0.02	1
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0064	0.02	0.5
Mycobacterium ulcerans	transmembrane cation transporter	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	Metabotropic glutamate receptor precursor.	0.004	0.0027	0.1362
Loa Loa (eye worm)	uncoordinated protein 58	0.0064	0.02	0.0173
Plasmodium vivax	potassium channel, putative	0.0064	0.02	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Loa Loa (eye worm)	hypothetical protein	0.005	0.0094	0.0067
Trypanosoma cruzi	ion transport protein, putative	0.0064	0.02	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0064	0.02	1
Trypanosoma cruzi	ion transport protein, putative	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Schistosoma mansoni	calcium-activated potassium channel	0.0064	0.02	0.0134
Loa Loa (eye worm)	hypothetical protein	0.011	0.0526	0.05
Echinococcus granulosus	potassium channel subfamily K 8	0.0064	0.02	0.0107
Onchocerca volvulus		0.0064	0.02	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Onchocerca volvulus		0.0064	0.02	0.5
Mycobacterium ulcerans	ion transport protein	0.0064	0.02	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0064	0.02	1
Plasmodium falciparum	potassium channel	0.0064	0.02	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0282	0.1759	0.1703
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Echinococcus granulosus	potassium channel subfamily K	0.0064	0.02	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Leishmania major	ion transport protein-like protein	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1759	0.1736
Leishmania major	calcium/potassium channel (CAKC), putative	0.0064	0.02	0.5
Brugia malayi	hypothetical protein	0.0064	0.02	1
Onchocerca volvulus		0.0064	0.02	0.5
Onchocerca volvulus		0.0064	0.02	0.5
Echinococcus granulosus	twik family of potassium channels	0.0064	0.02	0.0107
Loa Loa (eye worm)	TWK-28 protein	0.0064	0.02	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0064	0.02	0.0107
Onchocerca volvulus		0.0064	0.02	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0064	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0064	0.02	1
Echinococcus granulosus	calcium activated potassium channel variant	0.0064	0.02	0.0107
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0064	0.02	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0282	0.1759	0.168
Schistosoma mansoni	twik family of potassium channels-related	0.0064	0.02	0.0134
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0064	0.02	0.5
Echinococcus multilocularis	serotonin receptor	0.0282	0.1759	0.168
Toxoplasma gondii	ion channel protein	0.0064	0.02	0.5
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0064	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0173
Echinococcus granulosus	potassium channel subfamily K 8	0.0064	0.02	0.0107
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0064	0.02	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 821152