Detailed information for compound 1352240

Basic information

Technical information
  • TDR Targets ID: 1352240
  • Name: dibutoxyphosphoryl-(4-dimethylaminophenyl)met hanol
  • MW: 343.398 | Formula: C17H30NO4P
  • H donors: 1 H acceptors: 2 LogP: 3.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOP(=O)(C(c1ccc(cc1)N(C)C)O)OCCCC
  • InChi: 1S/C17H30NO4P/c1-5-7-13-21-23(20,22-14-8-6-2)17(19)15-9-11-16(12-10-15)18(3)4/h9-12,17,19H,5-8,13-14H2,1-4H3
  • InChiKey: ZGGFRWDQZQLDKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK1S-83649
  • MLS001044400
  • SMR000424929
  • [(4-Dimethylamino-phenyl)-hydroxy-methyl]-phosphonic acid dibutyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0114 0.1956 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0166 0.6551 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0166 0.6551 0.5
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0166 0.6551 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.9302 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.9302 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0166 0.6551 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.9302 0.7976
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0166 0.6551 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.9302 0.7976
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0166 0.6551 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.9302 0.7976
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0166 0.6551 0.5
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0166 0.6551 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0166 0.6551 0.5
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0166 0.6551 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.6876 0.094
Schistosoma mansoni alpha-glucosidase 0.0169 0.6876 0.094
Echinococcus multilocularis geminin 0.0205 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1836 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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