Detailed information for compound 1588627

Basic information

Technical information
  • TDR Targets ID: 1588627
  • Name: N,N-bis(2-chloroethyl)-10-oxo-9-oxa-1-aza-10$ l^{5}-phosphabicyclo[4.4.0]decan-10-amine
  • MW: 315.176 | Formula: C11H21Cl2N2O2P
  • H donors: 0 H acceptors: 1 LogP: 2.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(P1(=O)OCCC2N1CCCC2)CCCl
  • InChi: 1S/C11H21Cl2N2O2P/c12-5-8-14(9-6-13)18(16)15-7-2-1-3-11(15)4-10-17-18/h11H,1-10H2
  • InChiKey: LBHRYWZOYQOZFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • bis(2-chloroethyl)-(10-keto-9-oxa-1-aza-10$l^{5}-phosphabicyclo[4.4.0]decan-10-yl)amine
  • 88584-09-2
  • NCIOpen2_008569
  • NSC68116

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0994 1 1
Loa Loa (eye worm) hypothetical protein 0.0349 0.3134 0.3134
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0994 1 1
Brugia malayi Peptidase family M1 containing protein 0.0994 1 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0349 0.3134 0.3134
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0644 0.6277 0.4578
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0994 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0349 0.3134 0.3134
Schistosoma mansoni aminopeptidase A (M01 family) 0.0349 0.3134 0.3134
Trypanosoma brucei Aminopeptidase M1, putative 0.0994 1 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0349 0.3134 0.3134
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0994 1 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0349 0.3134 0.3134
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0994 1 1
Echinococcus granulosus aminopeptidase N 0.0994 1 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0644 0.6277 0.6277
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0994 1 1
Entamoeba histolytica aminopeptidase, putative 0.0994 1 0.5
Onchocerca volvulus 0.0994 1 1
Loa Loa (eye worm) aminopeptidase N 0.0994 1 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0994 1 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0994 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0994 1 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0994 1 1
Loa Loa (eye worm) hypothetical protein 0.0644 0.6277 0.6277
Loa Loa (eye worm) hypothetical protein 0.0349 0.3134 0.3134
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0349 0.3134 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0349 0.3134 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0994 1 1
Loa Loa (eye worm) hypothetical protein 0.0349 0.3134 0.3134
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0994 1 1
Toxoplasma gondii aminopeptidase N, putative 0.0349 0.3134 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0994 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0349 0.3134 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0644 0.6277 0.6277
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0349 0.3134 0.3134
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0349 0.3134 0.3134
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0349 0.3134 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0994 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0994 1 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0349 0.3134 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0994 1 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0994 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0349 0.3134 0.3134
Loa Loa (eye worm) hypothetical protein 0.0644 0.6277 0.6277
Loa Loa (eye worm) hypothetical protein 0.0644 0.6277 0.6277
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0994 1 1
Brugia malayi hypothetical protein 0.0349 0.3134 0.3134
Onchocerca volvulus 0.0994 1 1
Echinococcus multilocularis aminopeptidase N 0.0994 1 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0349 0.3134 0.3134
Trypanosoma cruzi aminopeptidase, putative 0.0994 1 1
Brugia malayi TATA binding protein associated factor 0.0349 0.3134 0.3134
Mycobacterium ulcerans aminopeptidase N PepN 0.0994 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0994 1 1
Toxoplasma gondii aminopeptidase N protein 0.0349 0.3134 0.5
Brugia malayi Peptidase family M1 containing protein 0.0349 0.3134 0.3134
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0994 1 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0349 0.3134 0.3134
Brugia malayi hypothetical protein 0.0994 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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