Detailed information for compound 1560310

Basic information

Technical information
  • TDR Targets ID: 1560310
  • Name: 3-(2-pyridin-2-ylethynyl)xanthen-9-one
  • MW: 297.307 | Formula: C20H11NO2
  • H donors: 0 H acceptors: 2 LogP: 3.95 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c2ccc(cc2oc2c1cccc2)C#Cc1ccccn1
  • InChi: 1S/C20H11NO2/c22-20-16-6-1-2-7-18(16)23-19-13-14(9-11-17(19)20)8-10-15-5-3-4-12-21-15/h1-7,9,11-13H
  • InChiKey: VRRZZLQCNNNYME-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(2-pyridyl)ethynyl]xanthen-9-one
  • 3-[2-(2-pyridyl)ethynyl]-9-xanthenone
  • 3-[2-(2-pyridyl)ethynyl]xanthone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3652 0.3652
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4884 0.4884
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.2212 0.4529
Loa Loa (eye worm) hypothetical protein 0.0041 0.2212 0.2212
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0541 0.1108
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2386 0.4884
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4884 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0541 0.1108
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4884 1
Entamoeba histolytica hypothetical protein 0.0043 0.2386 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0541 0.0541
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0541 0.0541
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.4884 0.4884
Brugia malayi hypothetical protein 0.0043 0.2386 0.2386
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.4884 0.4884
Echinococcus granulosus GPCR family 2 0.0019 0.0541 0.1108
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0541 0.1108
Loa Loa (eye worm) hypothetical protein 0.006 0.3652 0.3652
Toxoplasma gondii ATPase, AAA family protein 0.0012 0 0.5
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4884 1
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4884 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.2386 1
Schistosoma mansoni hypothetical protein 0.0019 0.0541 0.1108
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0541 0.0541
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0541 0.1108
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4884 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2212 0.2212
Schistosoma mansoni hypothetical protein 0.0019 0.0541 0.1108
Onchocerca volvulus 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0541 0.1108
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4884 1
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3652 0.3652
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0541 0.1108
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4884 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3652 0.3652
Entamoeba histolytica hypothetical protein 0.0043 0.2386 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4884 0.4884
Schistosoma mansoni hypothetical protein 0.0043 0.2386 0.4884
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0541 0.0541
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4884 0.4884
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Brugia malayi RNA binding protein 0.0076 0.4884 0.4884
Entamoeba histolytica hypothetical protein 0.0043 0.2386 1
Giardia lamblia Replication factor C, subunit 1 0.0012 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2386 0.4884
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0541 0.1108
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2386 0.4884

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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 MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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