Detailed information for compound 236947

Basic information

Technical information
  • TDR Targets ID: 236947
  • Name: 2,3-dipentoxypropyl methyl hydrogen phosphate
  • MW: 326.366 | Formula: C14H31O6P
  • H donors: 1 H acceptors: 2 LogP: 2.34 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOCC(COP(=O)(OC)O)OCCCCC
  • InChi: 1S/C14H31O6P/c1-4-6-8-10-18-12-14(19-11-9-7-5-2)13-20-21(15,16)17-3/h14H,4-13H2,1-3H3,(H,15,16)
  • InChiKey: FAPLIUDWFWTHIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-diamoxypropyl methyl hydrogen phosphate

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
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1732 0.1132
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0091 0.4383 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1732 0.2543
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.2071 1
Echinococcus granulosus Rac GTPase activating protein 1 0.0085 0.3951 0.354
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.4168 0.379
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1732 0.1132
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 1
Echinococcus multilocularis glutamate receptor 2 0.0044 0.1129 0.047
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0091 0.4383 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0065 0.2602 0.3819
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1961 0.2054
Echinococcus granulosus glutamate NMDA receptor subunit 0.0054 0.18 0.1059
Brugia malayi Glutamate receptor 2 precursor 0.0054 0.18 0.1884
Echinococcus multilocularis glutamate receptor 2 0.0054 0.18 0.1229
Schistosoma mansoni hypothetical protein 0.004 0.0882 0.0168
Brugia malayi RhoGAP domain containing protein 0.0085 0.3951 0.4137
Echinococcus granulosus poly ADP ribose polymerase 1 0.0166 0.9551 1
Giardia lamblia Rho GAP, putative 0.0073 0.3147 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1961 0.2054
Brugia malayi WGR domain containing protein 0.0091 0.4383 0.4589
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0166 0.9551 1
Schistosoma mansoni glutamate receptor kainate 0.0054 0.18 0.1209
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0064 0.2505 0.2027
Echinococcus multilocularis Rac GTPase activating protein 1 0.0085 0.3951 0.3663
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0882 0.0168
Echinococcus granulosus WGR domain containing protein 0.0052 0.1645 0.088
Echinococcus granulosus poly (ADP ribose) polymerase 0.0052 0.1645 0.088
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0051 0.1608 0.3584
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0179 0.0429
Echinococcus granulosus glutamate receptor 2 0.0064 0.2505 0.1872
Echinococcus multilocularis glutamate receptor 2 0.0064 0.2505 0.2027
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0064 0.2505 0.2027
Brugia malayi RhoGAP domain containing protein 0.0073 0.3147 0.3295
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0166 0.9551 1
Schistosoma mansoni ATP-binding cassette transporter 0.0054 0.18 0.1209
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.4168 0.4168
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.4168 0.3908
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.2071 0.4744
Loa Loa (eye worm) hypothetical protein 0.0073 0.3147 0.462
Schistosoma mansoni glutamate receptor AMPA 0.0054 0.18 0.1209
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1732 0.1153
Loa Loa (eye worm) hypothetical protein 0.0038 0.0734 0.1077
Loa Loa (eye worm) hypothetical protein 0.0056 0.1961 0.2879
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0179 0.0429
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0064 0.2505 0.1872
Loa Loa (eye worm) hypothetical protein 0.0126 0.6812 1
Brugia malayi WGR domain containing protein 0.0166 0.9551 1
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.2071 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1732 0.0981
Loa Loa (eye worm) glutamate receptor 2 0.0054 0.18 0.2642
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1732 0.1814
Schistosoma mansoni glutamate receptor NMDA 0.0054 0.18 0.1209
Loa Loa (eye worm) hypothetical protein 0.0091 0.4383 0.6434
Schistosoma mansoni glutamate receptor NMDA 0.0064 0.2505 0.2008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1732 0.1153
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0071 0.2984 0.2569
Schistosoma mansoni glutamate receptor AMPA 0.0054 0.18 0.1209
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.4168 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0091 0.4383 0.4139
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0079 0.3533 0.3174
Schistosoma mansoni rac gtpase activating protein 0.0085 0.3951 0.3649
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0064 0.2505 0.2027
Loa Loa (eye worm) glutamate receptor 1 0.0054 0.18 0.2642
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0734 0.0768
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0064 0.2505 0.1872
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1961 0.2879
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.0091 0.4383 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.4168 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0166 0.9551 1
Brugia malayi Probable ClpP-like protease 0.0088 0.4168 0.4364
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0064 0.2505 0.1872
Schistosoma mansoni glutamate receptor kainate 0.0054 0.18 0.1209
Toxoplasma gondii hypothetical protein 0.003 0.0179 0.0179
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0064 0.2505 0.1872
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0091 0.4383 0.4152
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0051 0.1608 0.3584
Echinococcus multilocularis nmda type glutamate receptor 0.0071 0.2984 0.2569
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0064 0.2505 0.2027
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1732 0.1132
Loa Loa (eye worm) hypothetical protein 0.0085 0.3951 0.58
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.4168 1
Brugia malayi Glutamate receptor 1 precursor 0.0054 0.18 0.1884
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1732 0.0981
Loa Loa (eye worm) hypothetical protein 0.0088 0.4168 0.6118
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.4168 0.4168
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.2071 0.1372
Brugia malayi hypothetical protein 0.004 0.0882 0.0923
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.2071 0.1536
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.4168 0.3894
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0882 0.019
Echinococcus granulosus glutamate receptor 2 0.0044 0.1129 0.0285
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0054 0.18 0.1229
Echinococcus granulosus poly adp ribose polymerase 2 0.0091 0.4383 0.4039
Echinococcus granulosus nmda type glutamate receptor 0.0071 0.2984 0.2425
Schistosoma mansoni glutamate receptor kainate 0.0054 0.18 0.1209

Activities

Activity type Activity value Assay description Source Reference
CMC (binding) = 55 mM Critical Micelle Concentration was determined using 5 nM PI-PLC and 0.25 mM NPIP (Myo inositol 1-(4-nitrophenyl phosphate) substrate in assay buffer at 25 degree centigrade. ChEMBL. 8893831
IC50 (binding) = 235 uM Inhibition of Phosphoinositide specific phospholipase C (PI-PLC) from Bacillus cereus on the internal face of the cell membrane. ChEMBL. 8893831

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

1 literature reference was collected for this gene.

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