TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 263.451 | Formula: C15H25NOSi
H donors: 0 H acceptors: 1 LogP: 4.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(C12CC3CC(C2)CC(C1)C3)O[Si](C)(C)C
InChi: 1S/C15H25NOSi/c1-18(2,3)17-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,4-9H2,1-3H3
InChiKey: VKXUENGVQZSDFZ-UHFFFAOYSA-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
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0145	0.0161
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0546	0.6677	1
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0226	0.0251
Plasmodium falciparum	adenosylhomocysteinase	0.0546	0.6677	0.5
Brugia malayi	RNA binding protein	0.0061	0.0226	0.0251
Entamoeba histolytica	adenosylhomocysteinase, putative	0.0546	0.6677	0.5
Schistosoma mansoni	adenosylhomocysteinase	0.0338	0.3908	0.5853
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1518	0.1684
Brugia malayi	plexin A	0.0156	0.1488	0.1651
Brugia malayi	ecdysteroid receptor	0.0158	0.1518	0.1684
Schistosoma mansoni	adenosylhomocysteinase	0.0338	0.3908	0.5853
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0145	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0145	0.0161
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0722	0.9014	1
Loa Loa (eye worm)	adenosylhomocysteinase	0.0546	0.6677	0.7407
Schistosoma mansoni	plexin	0.0077	0.0434	0.065
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0226	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0445	0.5338	0.5922
Schistosoma mansoni	adenosylhomocysteinase	0.0338	0.3908	0.5853
Loa Loa (eye worm)	hypothetical protein	0.0445	0.5338	0.5922
Echinococcus granulosus	semaphorin 1A	0.0055	0.0145	0.0218
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.0546	0.6677	0.5
Loa Loa (eye worm)	hypothetical protein	0.0722	0.9014	1
Loa Loa (eye worm)	sema domain-containing protein	0.0055	0.0145	0.0161
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0722	0.9014	1
Toxoplasma gondii	adenosylhomocysteinase, putative	0.0546	0.6677	0.5
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0546	0.6677	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0226	0.0251
Schistosoma mansoni	plexin	0.0132	0.1167	0.1748
Schistosoma mansoni	hypothetical protein	0.0055	0.0145	0.0218
Echinococcus multilocularis	hypothetical protein	0.0055	0.0145	0.0145
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0226	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0434	0.0481
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.0546	0.6677	0.5
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0226	0.0339
Schistosoma mansoni	hypothetical protein	0.0077	0.0434	0.065
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0722	0.9014	1
Schistosoma mansoni	semaphorin 5-related	0.0055	0.0145	0.0218
Onchocerca volvulus	Bile acid receptor homolog	0.0158	0.1518	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0226	0.0339
Schistosoma mansoni	adenosylhomocysteinase	0.0546	0.6677	1
Schistosoma mansoni	adenosylhomocysteinase	0.0338	0.3908	0.5853
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0226	0.0339
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0226	0.0339
Schistosoma mansoni	hypothetical protein	0.0055	0.0145	0.0218
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0226	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0145	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1167	0.1295
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0546	0.6677	1
Loa Loa (eye worm)	plexin A	0.0156	0.1488	0.1651
Echinococcus granulosus	adenosylhomocysteinase	0.0546	0.6677	1
Leishmania major	C-8 sterol isomerase-like protein	0.0722	0.9014	1
Echinococcus multilocularis	semaphorin 5B	0.0055	0.0145	0.0145
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0546	0.6677	1
Brugia malayi	Plexin repeat family protein	0.0132	0.1167	0.1295
Brugia malayi	hypothetical protein	0.0055	0.0145	0.0161
Echinococcus multilocularis	plexin a4	0.0156	0.1488	0.1488
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0145	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0369	0.4319	0.4792
Echinococcus granulosus	plexin a4	0.0156	0.1488	0.2229
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.0546	0.6677	0.5
Loa Loa (eye worm)	sema domain-containing protein	0.0055	0.0145	0.0161
Onchocerca volvulus		0.0132	0.1167	0.7444
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0145	0.0161
Echinococcus granulosus	semaphorin 5B	0.0055	0.0145	0.0218
Brugia malayi	Sema domain containing protein	0.0055	0.0145	0.0161
Brugia malayi	Adenosylhomocysteinase	0.0546	0.6677	0.7407
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0226	0.0339
Brugia malayi	Sema domain containing protein	0.0055	0.0145	0.0161
Brugia malayi	hypothetical protein	0.0055	0.0145	0.0161
Echinococcus multilocularis	adenosylhomocysteinase	0.0546	0.6677	0.6677
Brugia malayi	TAR-binding protein	0.0061	0.0226	0.0251

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 195 uM	Inhibitory activity against phenylethanolamine N-methyltransferase	ChEMBL.	7205880
IC50 (binding)	= 195 uM	Inhibitory activity against phenylethanolamine N-methyltransferase	ChEMBL.	7205880

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.

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

Detailed information for compound 20336