TDR Targets

Basic information

Technical information

TDR Targets ID: 27325
Name: bis(aziridin-1-yl)-[2-(2-ethoxyethoxy)ethoxy] -sulfanylidene-$l^{5}-phosphane
MW: 280.324 | Formula: C10H21N2O3PS
H donors: 0 H acceptors: 0 LogP: 1.23 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCOCCOP(=S)(N1CC1)N1CC1
InChi: 1S/C10H21N2O3PS/c1-2-13-7-8-14-9-10-15-16(17,11-3-4-11)12-5-6-12/h2-10H2,1H3
InChiKey: BBFASPYOKUYXNA-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

bis(aziridin-1-yl)-[2-(2-ethoxyethoxy)ethoxy]-thioxo-phosphorane
bis(1-aziridinyl)-[2-(2-ethoxyethoxy)ethoxy]-thioxophosphorane
2-(2-ethoxyethoxy)ethoxy-diethylenimino-thioxo-phosphorane
bis(aziridin-1-yl)-[2-(2-ethoxyethoxy)ethoxy]-sulfanylidenephosphorane
bis(aziridin-1-yl)-[2-(2-ethoxyethoxy)ethoxy]-sulfanylidene-phosphorane

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
Brugia malayi	reverse transcriptase	0.0094	0.0129	0.0427
Trypanosoma brucei	hypothetical protein, conserved	0.1198	0.2822	0.2728
Giardia lamblia	Ribonuclease H	0.1104	0.2593	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Trypanosoma brucei	unspecified product	0.1198	0.2822	0.2728
Trypanosoma brucei	ribonuclease H1	0.1104	0.2593	0.2497
Echinococcus granulosus	KRAB A domain containing protein	0.0094	0.0129	0.0497
Toxoplasma gondii	ribonuclease HI protein	0.1104	0.2593	0.5
Brugia malayi	Zinc knuckle family protein	0.0094	0.0129	0.0427
Brugia malayi	jmjC domain containing protein	0.0097	0.0135	0.0452
Schistosoma mansoni	hypothetical protein	0.0094	0.0129	0.011
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Onchocerca volvulus	Ribonuclease H1 homolog	0.1104	0.2593	1
Brugia malayi	hypothetical protein	0.0094	0.0129	0.0427
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.0483	0.1862
Schistosoma mansoni	hypothetical protein	0.0094	0.0129	0.011
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.1198	0.2822	0.2728
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Brugia malayi	hypothetical protein	0.0094	0.0129	0.0427
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.0135	0.0522
Brugia malayi	hypothetical protein	0.0239	0.0483	0.1802
Brugia malayi	reverse transcriptase	0.0094	0.0129	0.0427
Brugia malayi	Zinc knuckle family protein	0.0094	0.0129	0.0427
Schistosoma mansoni	protein kinase	0.0094	0.0129	0.011
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.0129	0.011
Brugia malayi	RNase H family protein	0.1104	0.2593	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Schistosoma mansoni	phosphoglucomutase	0.1104	0.2593	0.2579
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0094	0.0129	0.0497
Leishmania major	ribonuclease H1, putative	0.1104	0.2593	0.5
Trypanosoma brucei	ingi protein (ORF1)	0.1198	0.2822	0.2728
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Trichomonas vaginalis	ribonuclease H1, putative	0.1104	0.2593	1
Trypanosoma brucei	ingi protein (ORF1)	0.1198	0.2822	0.2728
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.0135	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0239	0.0483	1
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.0483	0.1862
Trypanosoma cruzi	ribonuclease H1, putative	0.1104	0.2593	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0144	0.0252	0.5
Brugia malayi	reverse transcriptase	0.0094	0.0129	0.0427
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0144	0.0252	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0094	0.0129	0.0497
Treponema pallidum	ribonuclease H (rnhA)	0.1104	0.2593	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0087	0.0068
Echinococcus multilocularis	RNA directed DNA polymerase	0.0094	0.0129	0.0497
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Echinococcus granulosus	ribonuclease H1	0.1104	0.2593	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0094	0.0129	0.0497
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0295	0.062	0.5
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Schistosoma mansoni	phosphoglucomutase	0.1104	0.2593	0.2579
Echinococcus granulosus	RNA directed DNA polymerase	0.0094	0.0129	0.0497
Schistosoma mansoni	phosphoglucomutase	0.1104	0.2593	0.2579
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0094	0.0129	0.011
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0295	0.062	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0048	0.0548
Brugia malayi	hypothetical protein	0.0094	0.0129	0.0427
Brugia malayi	RNase H family protein	0.1104	0.2593	1
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0094	0.0129	0.0497
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.1104	0.2593	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Echinococcus multilocularis	ribonuclease H1	0.1104	0.2593	1
Onchocerca volvulus		0.0094	0.0129	0.0427
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0144	0.0252	1
Brugia malayi	hypothetical protein	0.0094	0.0129	0.0427
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Brugia malayi	RNase H family protein	0.1104	0.2593	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0295	0.062	0.1995
Trypanosoma brucei	RNA helicase, putative	0.4142	1	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0094	0.0129	0.0427
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0094	0.0129	0.0497
Brugia malayi	Pao retrotransposon peptidase family protein	0.0094	0.0129	0.0427
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Onchocerca volvulus		0.0094	0.0129	0.0427
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0094	0.0129	0.0497
Trypanosoma cruzi	ribonuclease H1, putative	0.1104	0.2593	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.062	0.1995

Activities

Activity type	Activity value	Assay description	Source	Reference
ILS (functional)	= 24 %	Percentage increase in life span when the compound was administered intraperitoneally at dose of 20 mg/Kg in P388 leukemia in CDF1 mice was determined	ChEMBL.	3806574
ILS (functional)	= 24 %	Percentage increase in life span when the compound was administered intraperitoneally at dose of 20 mg/Kg in P388 leukemia in CDF1 mice was determined	ChEMBL.	3806574
ILS (functional)	= 77 %	Percentage increase in life span when the compound was administered intraperitoneally at dose of 60 mg/Kg in P388 leukemia in CDF1 mice was determined	ChEMBL.	3806574
ILS (functional)	= 77 %	Percentage increase in life span when the compound was administered intraperitoneally at dose of 60 mg/Kg in P388 leukemia in CDF1 mice was determined	ChEMBL.	3806574
Partition coefficient	= 2.4	partition coefficient with the use of 1-octanol / water solvent system	ChEMBL.	3806574
Survivors (functional)	= 0	Compound was evaluated for the anticancer activity against P388 leukemia in CD2F1 male mice at a dose of 20 mg/kg/after 30 days; 0/6	ChEMBL.	3806574
Survivors (functional)	= 0	Compound was evaluated for the anticancer activity against P388 leukemia in CD2F1 male mice at a dose of 60 mg/kg/after 30 days; 0/6	ChEMBL.	3806574
T/C (functional)	= 24 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 20 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 24 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 20 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 77 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 60 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 77 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 60 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 124 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 20 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 124 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 20 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 177 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 60 mg/kg/day.	ChEMBL.	3806574
T/C (functional)	= 177 %	Anticancer activity against P388 leukemia in CD2F1 male mice by 60 mg/kg/day.	ChEMBL.	3806574
Weight change (functional)	= 1.4 %	Anticancer activity against P388 leukemia in CD2F1 male mice expressed as Average % weight change on day 5 as a measure of toxicity was reported at a dose of 60 mg/kg/day .	ChEMBL.	3806574
Weight change (functional)	= 1.4 %	Anticancer activity against P388 leukemia in CD2F1 male mice expressed as Average % weight change on day 5 as a measure of toxicity was reported at a dose of 60 mg/kg/day .	ChEMBL.	3806574
Weight change (functional)	= 2.6 %	Anticancer activity against P388 leukemia in CD2F1 male mice expressed as Average % weight change on day 5 as a measure of toxicity was reported at a dose of 20 mg/kg/day .	ChEMBL.	3806574
Weight change (functional)	= 2.6 %	Anticancer activity against P388 leukemia in CD2F1 male mice expressed as Average % weight change on day 5 as a measure of toxicity was reported at a dose of 20 mg/kg/day .	ChEMBL.	3806574

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: CHEMBL22501
PubChem: 13623374

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 27325