Detailed information for compound 1647698

Basic information

Technical information
  • TDR Targets ID: 1647698
  • Name: 2-dimethylaminochromeno[2,3-b]pyridin-5-one
  • MW: 240.257 | Formula: C14H12N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.68 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc2c(n1)oc1c(c2=O)cccc1)C
  • InChi: 1S/C14H12N2O2/c1-16(2)12-8-7-10-13(17)9-5-3-4-6-11(9)18-14(10)15-12/h3-8H,1-2H3
  • InChiKey: KXXTUVAJDQJMJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-dimethylamino-5-chromeno[2,3-b]pyridinone
  • 5H- 1 Benzopyrano 2,3-b pyridin-5-one, 2-(Dimethylamino)-
  • NSC622189
  • NCI60_006461

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Echinococcus granulosus 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
Brugia malayi RNA 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
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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Loa Loa (eye worm) RNA 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
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
Loa Loa (eye worm) hypothetical protein 0.006 0.7063 0.6896
Loa Loa (eye worm) hypothetical protein 0.0041 0.3631 0.3268
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3631 0.3268
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0058 0.667 0.6481
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0055 0.6132 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0055 0.6132 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0058 0.667 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0055 0.6132 0.5912
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0055 0.6132 0.5
Toxoplasma gondii cell division protein CDC48AP 0.0035 0.2472 0.0000097958
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7063 0.6896
Brugia malayi TAR-binding protein 0.0076 1 1
Giardia lamblia AAA family ATPase 0.0035 0.2472 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7063 0.6896
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7063 0.6896
Entamoeba histolytica cdc48-like protein, putative 0.0055 0.6132 0.5
Loa Loa (eye worm) vesicle-fusing ATPase 0.0034 0.2346 0.1911
Loa Loa (eye worm) hypothetical protein 0.0034 0.2346 0.1911
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0058 0.667 0.6481
Brugia malayi vesicle-fusing ATPase 0.0034 0.2346 0.1911
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0055 0.6132 0.5
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0058 0.667 0.5
Trypanosoma brucei Valosin-containing protein 0.0055 0.6132 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.3631 0.3268
Brugia malayi valosin containing protein 0.0034 0.2346 0.1911
Mycobacterium tuberculosis Putative conserved ATPase 0.0035 0.2472 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Toxoplasma gondii cell division protein CDC48CY 0.0058 0.667 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Mycobacterium ulcerans ATPase 0.0035 0.2472 0.5
Trypanosoma cruzi Valosin-containing protein, putative 0.0055 0.6132 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 67.622 uM PubChem BioAssay. Counterscreen for agonists of the daf-12 abnormal Dauer Formation: Luminescence-based cell-based dose response screening assay to identify agonists of the Liver-X-Receptor (LXR). (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.413 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.377 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.16 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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