Detailed information for compound 1341272

Basic information

Technical information
  • TDR Targets ID: 1341272
  • Name: (phenyl-propoxyphosphoryl)benzene
  • MW: 260.268 | Formula: C15H17O2P
  • H donors: 0 H acceptors: 1 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOP(=O)(c1ccccc1)c1ccccc1
  • InChi: 1S/C15H17O2P/c1-2-13-17-18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
  • InChiKey: KPOPYLQJRSZHIK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (phenyl-propoxy-phosphoryl)benzene
  • MLS000595108
  • SMR000184844
  • propyl diphenylphosphinate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus muscleblind protein 0.018 1 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.9668 0.9668
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.9668 0.9668
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0034 0.0946 0.0777
Loa Loa (eye worm) hypothetical protein 0.0073 0.3336 0.3336
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) TAR-binding protein 0.0067 0.2959 0.2959
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.137 0.137
Brugia malayi TAR-binding protein 0.0067 0.2959 0.2959
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0053 0.2105 0.2178
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0034 0.0946 0.0777
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.201 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2551 0.2551
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0053 0.2105 0.2105
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.201 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0167 0.9169 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.9668 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0116 0.5979 0.6421
Loa Loa (eye worm) hypothetical protein 0.006 0.2551 0.2551
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.201 0.201
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0116 0.5979 0.6421
Loa Loa (eye worm) RNA binding protein 0.0067 0.2959 0.2959
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0053 0.2105 0.2105
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1744 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.201 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0034 0.0946 0.0777
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9364 0.9364
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.137 0.137
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2959 0.306
Echinococcus multilocularis muscleblind protein 0.018 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.137 0.1417
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1744 0.5
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0073 0.3336 0.5
Mycobacterium ulcerans hypothetical protein 0.0051 0.201 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2551 0.2551
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2959 0.306
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2959 0.306
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0116 0.5979 0.6421
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.201 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.1412 0.1299
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.201 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.2959 0.2959
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0167 0.9169 1
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0043 0.1485 0.3003
Leishmania major mitochondrial DNA polymerase beta 0.0167 0.9169 1
Brugia malayi DNA polymerase alpha catalytic subunit 0.0043 0.1485 0.1485
Echinococcus granulosus tar DNA binding protein 0.0067 0.2959 0.2959
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2551 0.2551
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0034 0.0946 0.0777
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.201 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.9668 0.9668
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.002 0.005 0.0052
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2959 0.306
Brugia malayi RNA binding protein 0.0067 0.2959 0.2959
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1744 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.2959 0.2959
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.2959 0.2959
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2959 0.306
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0167 0.9169 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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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