Detailed information for compound 589844

Basic information

Technical information
  • TDR Targets ID: 589844
  • Name: 1-[bis(aziridin-1-yl)phosphoryl]-3-(1-$l^{1}- oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)urea
  • MW: 344.37 | Formula: C14H27N5O3P
  • H donors: 3 H acceptors: 3 LogP: 0.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=NC1CC(C)(C)N(C(C1)(C)C)[O])NP(=O)(N1CC1)N1CC1
  • InChi: 1S/C14H27N5O3P/c1-13(2)9-11(10-14(3,4)19(13)21)15-12(20)16-23(22,17-5-6-17)18-7-8-18/h11H,5-10H2,1-4H3,(H2,15,16,20,22)
  • InChiKey: DBNFXLUBBPXNRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[bis(1-aziridinyl)phosphoryl]-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)urea
  • 1-[bis(aziridin-1-yl)phosphoryl]-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)urea
  • 1-diethyleniminophosphoryl-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)urea
  • 1-[bis(aziridin-1-yl)phosphoryl]-3-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)urea
  • N,N,N',N'-bis(1,2-ethanediyl)-N''-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinylaminocarbonyl)phosphoric triamide
  • 96662-64-5
  • 1-Piperidinyloxy, 4-((((bis(1-aziridinyl)phosphinyl)amino)carbonyl)amino)- 2,2,6,6-tetramethyl-
  • 4-((((Bis(1-aziridinyl)phosphinyl)amino)carbonyl)amino)-2,2,6,6-tetramethyl-1-piperidinyloxy
  • BRN 6877046
  • SLDU
  • Urea, 1-(di-1-aziridinylphosphonyl)-3-(2,2,6,6-tetramethyl-4-piperidyl)-, N(sup 3)-oxide

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major guanosine monophosphate reductase 0.0202 1 0.5
Trypanosoma cruzi GMP reductase 0.0202 1 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0202 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0197 0.9548 0.5
Leishmania major inosine-5-monophosphate dehydrogenase 0.0202 1 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0202 1 0.5
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0202 1 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0202 1 1
Toxoplasma gondii IMP dehydrogenas 0.0202 1 0.5
Trypanosoma cruzi GMP reductase 0.0202 1 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0202 1 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0202 1 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0202 1 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0202 1 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0197 0.9548 0.9548
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0197 0.9548 0.5
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0202 1 0.5
Trypanosoma brucei GMP reductase 0.0202 1 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0202 1 0.5
Loa Loa (eye worm) IMP dehydrogenase 1 0.0202 1 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.011 0.1633 0.1633
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0202 1 1

Activities

Activity type Activity value Assay description Source Reference
Cures (functional) = 6 survivors/total Compound was tested for number of cures from P388 leukemia in CD2F1 male mice as tumor-free survivors after day 60; 6/6 ChEMBL. 2431142
ILS (functional) = 23 % Compound was tested for anticancer activities against L1210 leukemia in CD2F1 male mice at dose of 25 mg/kg per day ChEMBL. 2431142
ILS (functional) 81 % Anticancer activities against L1210 leukemia in CD2F1 male mice at dose of 50 mg/kg per day ChEMBL. 2431142
ILS (functional) 115 % Compound was tested for anticancer activities against L1210 leukemia in CD2F1 male mice at dose of 100 mg/kg per day ChEMBL. 2431142
ILS (functional) = 170 % Antineoplastic activity against P388 leukemia in CD2F1 male mice and the percent increase in life span was measured on day 30. ChEMBL. 2431142
ILS max (functional) = 439 % Compound was tested for its antineoplastic activity against P388 leukemia in CD2F1 male mice and the percent increase in life span was measured on day 30. ChEMBL. 2431142
ILS40 (functional) = 3.4 mg kg-1 day-1 Compound was tested for its antineoplastic activity against P388 leukemia in CD2F1 male mice. ChEMBL. 2431142
LD50 (ADMET) = 270 mg kg-1 Lethal toxicity of the compound against P388 leukemia in CD2F1 male mice was determined ChEMBL. 2431142
T/C (functional) 123 % Compound was tested for anticancer activity against L1210 leukemia in CD2F1 male mice at dose of 25 mg/kg per day ChEMBL. 2431142
T/C (functional) 181 % Compound was tested for anticancer activity against L1210 leukemia in CD2F1 male mice at dose of 50 mg/kg per day ChEMBL. 2431142
T/C (functional) = 215 % Compound was tested for anticancer activity against L1210 leukemia in CD2F1 male mice at dose of 100 mg/kg per day ChEMBL. 2431142
Weight change on day 5 (functional) = -2.4 % Compound was tested for its antineoplastic activity against P388 leukemia in CD2F1 male mice and the average percentage weight change on day 5 was measured. ChEMBL. 2431142

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

Bibliographic References

No literature references available for this target.

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