TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485.688 | Formula: C27H39NO5Si
H donors: 0 H acceptors: 1 LogP: 5.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)O[C@@H]1[C@H](C=C2[C@@H]3[C@@H]1c1cc4OCOc4cc1CN3CC2)O[Si](C(C)C)(C(C)C)C(C)C
InChi: 1S/C27H39NO5Si/c1-15(2)34(16(3)4,17(5)6)33-24-10-19-8-9-28-13-20-11-22-23(31-14-30-22)12-21(20)25(26(19)28)27(24)32-18(7)29/h10-12,15-17,24-27H,8-9,13-14H2,1-7H3/t24-,25-,26+,27+/m0/s1
InChiKey: CLIYGJMARZASGI-GWMMUDDPSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	serine-rich repeat protein	0.0708	0.2232	0.3319
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0093	0.0161	0.8235
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Echinococcus multilocularis	twik family of potassium channels	0.0093	0.0161	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Plasmodium vivax	potassium channel, putative	0.0093	0.0161	0.1786
Schistosoma mansoni	hypothetical protein	0.0056	0.0036	0.0022
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0093	0.0161	0.0726
Echinococcus multilocularis	serotonin receptor	0.042	0.1263	0.1232
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0093	0.0161	0.0726
Onchocerca volvulus		0.0093	0.0161	0.0408
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0093	0.0161	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.042	0.1263	0.189
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0101	0.0188	0.0154
Plasmodium falciparum	telomerase reverse transcriptase	0.0265	0.074	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Schistosoma mansoni	hypothetical protein	0.0056	0.0036	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	Telomerase reverse transcriptase	0.0705	0.2222	1
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1372	0.4465	0.4445
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	hypothetical protein	0.0093	0.0161	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Onchocerca volvulus		0.0093	0.0161	0.0408
Plasmodium falciparum	hexose transporter	0.0101	0.0188	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0265	0.074	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Treponema pallidum	76K protein	0.0056	0.0036	0.5
Onchocerca volvulus		0.0093	0.0161	0.0408
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0093	0.0161	0.8235
Echinococcus granulosus	potassium channel subfamily K 8	0.0093	0.0161	0.0126
Echinococcus multilocularis	potassium channel subfamily K 8	0.0093	0.0161	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	Cache domain containing protein	0.0607	0.1891	0.8513
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0093	0.0161	0.0126
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0035	0.0053
Schistosoma mansoni	hypothetical protein	0.0101	0.0188	0.0251
Toxoplasma gondii	ion channel protein	0.0093	0.0161	0.1786
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0093	0.0161	0.0126
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0093	0.0161	0.0726
Echinococcus multilocularis	small conductance calcium activated potassium	0.203	0.6682	0.667
Schistosoma mansoni	calcium-activated potassium channel	0.203	0.6682	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.1316	0.4276	0.6388
Brugia malayi	Zona pellucida-like domain containing protein	0.0056	0.0036	0.0161
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0093	0.0161	0.0126
Brugia malayi	von Willebrand Factor	0.0056	0.0036	0.0161
Echinococcus granulosus	potassium channel subfamily K	0.0093	0.0161	0.0126
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0093	0.0161	0.0726
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0093	0.0161	0.0726
Loa Loa (eye worm)	TWK-28 protein	0.0093	0.0161	0.0241
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0093	0.0161	0.8235
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.3016	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Schistosoma mansoni	hypothetical protein	0.0093	0.0161	0.0211
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0093	0.0161	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Toxoplasma gondii	ion channel protein	0.0093	0.0161	0.1786
Echinococcus granulosus	biogenic amine 5HT receptor	0.042	0.1263	0.1232
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0093	0.0161	0.0726
Toxoplasma gondii	RNA-directed DNA polymerase	0.0265	0.074	1
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.042	0.1263	0.189
Mycobacterium ulcerans	transmembrane cation transporter	0.0093	0.0161	0.5
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Echinococcus multilocularis	twik family of potassium channels	0.0093	0.0161	0.0126
Schistosoma mansoni	biogenic amine (5HT) receptor	0.042	0.1263	0.1864
Echinococcus multilocularis	potassium channel subfamily K 8	0.0093	0.0161	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0607	0.1891	0.283
Echinococcus multilocularis	potassium channel subfamily K	0.0093	0.0161	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Schistosoma mansoni	calcium-activated potassium channel	0.0093	0.0161	0.0211
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0093	0.0161	0.0726
Schistosoma mansoni	glucose transport protein	0.0101	0.0188	0.0251
Trypanosoma brucei	telomerase reverse transcriptase	0.0265	0.074	1
Plasmodium falciparum	potassium channel	0.0093	0.0161	0.1786
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0093	0.0161	0.8235
Loa Loa (eye worm)	sugar transporter	0.0101	0.0188	0.0282
Echinococcus granulosus	voltage dependent calcium channel subunit	0.1372	0.4465	0.4445
Loa Loa (eye worm)	CUTiclin-Like family member	0.0056	0.0036	0.0053
Echinococcus granulosus	calcium activated potassium channel variant	0.0093	0.0161	0.0126
Treponema pallidum	hypothetical protein	0.0056	0.0036	0.5
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0093	0.0161	0.0241
Schistosoma mansoni	hypothetical protein	0.203	0.6682	1
Echinococcus multilocularis	calcium activated potassium channel variant	0.0093	0.0161	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Echinococcus granulosus	General substrate transporter	0.0087	0.014	0.0105
Echinococcus multilocularis	General substrate transporter	0.0087	0.014	0.0105
Onchocerca volvulus		0.0093	0.0161	0.0408
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0265	0.074	1
Giardia lamblia	Telomerase catalytic subunit	0.0265	0.074	1
Loa Loa (eye worm)	hypothetical protein	0.203	0.6682	1
Loa Loa (eye worm)	hypothetical protein	0.096	0.3078	0.4607
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0093	0.0161	0.0726
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Schistosoma mansoni	glucose transport protein	0.0101	0.0188	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0093	0.0161	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0265	0.074	1
Schistosoma mansoni	amine GPCR	0.108	0.3483	0.5197
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0093	0.0161	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0093	0.0161	0.0726
Plasmodium vivax	potassium channel, putative	0.0093	0.0161	0.1786
Plasmodium falciparum	potassium channel	0.0093	0.0161	0.1786
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Loa Loa (eye worm)	CUTiclin family member	0.0056	0.0036	0.0053
Leishmania major	telomerase reverse transcriptase, putative	0.0265	0.074	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0093	0.0161	0.8235
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Brugia malayi	Zona pellucida-like domain containing protein	0.0056	0.0036	0.0161
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0093	0.0161	0.0241
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0093	0.0161	0.0726
Schistosoma mansoni	calcium-activated potassium channel	0.0093	0.0161	0.0211
Onchocerca volvulus		0.0093	0.0161	0.0408
Onchocerca volvulus		0.0093	0.0161	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Echinococcus granulosus	potassium channel subfamily K 8	0.0093	0.0161	0.0126
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0056	0.0036	0.0053
Schistosoma mansoni	glucose transport protein	0.0101	0.0188	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Echinococcus granulosus	small conductance calcium activated potassium	0.203	0.6682	0.667
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0093	0.0161	0.0726
Echinococcus multilocularis	serotonin receptor	0.042	0.1263	0.1232
Plasmodium vivax	hexose transporter	0.0101	0.0188	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0237	0.0355
Brugia malayi	Sugar transporter family protein	0.0101	0.0188	0.0848
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0971	0.3114	1
Brugia malayi	hypothetical protein	0.0093	0.0161	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Toxoplasma gondii	facilitative glucose transporter GT1	0.0101	0.0188	0.2168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0093	0.0161	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0861	0.2747	0.4111
Brugia malayi	hypothetical protein	0.0056	0.0036	0.0161
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0093	0.0161	0.0241
Schistosoma mansoni	calcium-activated potassium channel	0.1821	0.5978	0.8943
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0188	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Onchocerca volvulus		0.0093	0.0161	0.0408
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0093	0.0161	1
Schistosoma mansoni	hypothetical protein	0.0708	0.2232	0.3319
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.0188	0.0154
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0093	0.0161	0.0726
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0663	0.208	0.3091
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Loa Loa (eye worm)	TWK-7 protein	0.0093	0.0161	0.0241
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0093	0.0161	0.0726
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0056	0.0036	0.0161
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0056	0.0036	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0161	0.0241
Brugia malayi	von Willebrand factor type A domain containing protein	0.0056	0.0036	0.0161
Mycobacterium ulcerans	ion transport protein	0.0093	0.0161	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.0053
Schistosoma mansoni	twik family of potassium channels-related	0.0093	0.0161	0.0211
Echinococcus granulosus	twik family of potassium channels	0.0093	0.0161	0.0126
Echinococcus granulosus	twik family of potassium channels	0.0093	0.0161	0.0126
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0093	0.0161	0.0726
Loa Loa (eye worm)	uncoordinated protein 58	0.0093	0.0161	0.0241
Onchocerca volvulus		0.0093	0.0161	0.0408

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 6 uM	Growth inhibition of pro-apoptotic stimuli-resistant human T98G cells after 72 hrs by MTT assay	ChEMBL.	22019045
GI50 (functional)	= 18 uM	Growth inhibition of pro-apoptotic stimuli-resistant human A549 cells after 72 hrs by MTT assay	ChEMBL.	22019045
GI50 (functional)	= 26 uM	Growth inhibition of human PC3 cells after 72 hrs by MTT assay	ChEMBL.	22019045
GI50 (functional)	= 27 uM	Growth inhibition of human MCF7 cells after 72 hrs by MTT assay	ChEMBL.	22019045
GI50 (functional)	= 30 uM	Growth inhibition of pro-apoptotic stimuli-sensitive mouse B16F10 cells after 72 hrs by MTT assay	ChEMBL.	22019045
GI50 (functional)	= 34 uM	Growth inhibition of pro-apoptotic stimuli-resistant human SK-MEL-28 cells after 72 hrs by MTT assay	ChEMBL.	22019045

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: CHEMBL1922156

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1566105