Detailed information for compound 1501106

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.336 | Formula: C20H14N2O4
  • H donors: 4 H acceptors: 6 LogP: 3.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)O)c1nc2ccccc2nc1c1ccc(cc1O)O
  • InChi: 1S/C20H14N2O4/c23-11-5-7-13(17(25)9-11)19-20(14-8-6-12(24)10-18(14)26)22-16-4-2-1-3-15(16)21-19/h1-10,23-26H
  • InChiKey: ULWCCWZXYSGZSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A 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
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.026 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1838 0.5464
Loa Loa (eye worm) hypothetical protein 0.0107 0.334 0.9928
Brugia malayi Protein kinase domain containing protein 0.0108 0.3365 0.9112
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1295 0.3507
Schistosoma mansoni hypothetical protein 0.026 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.3365 0.3365
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0207 0.0616
Loa Loa (eye worm) hypothetical protein 0.006 0.1295 0.3848
Entamoeba histolytica DNA repair and recombination protein, putative 0.026 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3692 0.3559
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.026 1 1
Echinococcus granulosus dual specificity 0.0108 0.3365 0.3224
Loa Loa (eye worm) hypothetical protein 0.006 0.1302 0.3869
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0466 0.1262
Brugia malayi Bromodomain containing protein 0.0035 0.0207 0.0562
Giardia lamblia Rrm3p helicase 0.026 1 1
Brugia malayi jmjC domain containing protein 0.0043 0.053 0.1435
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3692 0.3559
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.053 0.0329
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1295 0.3848
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0807 0.0613
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0616
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.053 0.0329
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.026 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.3365 0.3365
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.3365 0.3224
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0807 0.0613
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.053 0.1574
Onchocerca volvulus Alhambra homolog 0.0035 0.0207 0.5
Plasmodium falciparum phd finger protein, putative 0.0035 0.0207 1
Brugia malayi PHD-finger family protein 0.0035 0.0207 0.0562
Echinococcus multilocularis dual specificity 0.0108 0.3365 0.3224
Trichomonas vaginalis conserved hypothetical protein 0.026 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1295 0.3507
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.026 1 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.026 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.3365 0.3365
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0207 1
Schistosoma mansoni hypothetical protein 0.0041 0.0466 0.0264
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2661 0.2506
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.026 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0207 1
Brugia malayi jmjC domain containing protein 0.0115 0.3692 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.334 0.9928
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.053 0.0329
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.3365 0.3365
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.3365 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.026 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0207 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.026 1 1
Entamoeba histolytica hypothetical protein, conserved 0.026 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.053 0.0329
Loa Loa (eye worm) hypothetical protein 0.0041 0.0466 0.1385

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 3.124 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 32.6427 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) 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

Species name Source Reference Is orphan
Homo sapiens 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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