Detailed information for compound 1530282

Basic information

Technical information
  • TDR Targets ID: 1530282
  • Name: 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl) acetamide
  • MW: 323.343 | Formula: C19H17NO4
  • H donors: 1 H acceptors: 2 LogP: 3.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)ccc(=O)o2)COc1ccc(cc1C)C
  • InChi: 1S/C19H17NO4/c1-12-3-6-16(13(2)9-12)23-11-18(21)20-15-5-7-17-14(10-15)4-8-19(22)24-17/h3-10H,11H2,1-2H3,(H,20,21)
  • InChiKey: MZBPBUFMWBWUQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,4-dimethylphenoxy)-N-(2-oxo-6-chromenyl)acetamide
  • 2-(2,4-dimethylphenoxy)-N-(2-ketochromen-6-yl)acetamide
  • 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)ethanamide
  • STK336981
  • 2-(2,4-Dimethyl-phenoxy)-N-(2-oxo-2H-chromen-6-yl)-acetamide
  • BAS 08208033
  • ZINC00578617

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding 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
Echinococcus granulosus 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
Echinococcus multilocularis 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) TAR-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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
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
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 RNA recognition motif domain containing 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3871 0.3871
Echinococcus multilocularis lysosomal protective protein 0.0088 0.5845 0.322
Loa Loa (eye worm) hypothetical protein 0.0084 0.5172 0.5172
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0088 0.5845 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0082 0.4828 0.4828
Echinococcus granulosus lysosomal protective protein 0.0088 0.5845 0.322
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0088 0.5845 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3871 0.3758
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0088 0.5845 0.5768
Loa Loa (eye worm) hypothetical protein 0.0084 0.5172 0.5172
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0088 0.5845 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3871 0.3758
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3871 0.3758
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.5845 0.5845
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0088 0.5845 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.5172 0.5172
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0088 0.5845 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0111 1 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0079 0.4297 0.0694
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0088 0.5845 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.4828 0.4828
Loa Loa (eye worm) hypothetical protein 0.0084 0.5172 0.5172
Loa Loa (eye worm) hypothetical protein 0.0084 0.5172 0.5172
Mycobacterium leprae probable zinc metalloprotease 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.5172 0.5172
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0088 0.5845 0.5
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0111 1 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0082 0.4828 0.4828
Mycobacterium ulcerans zinc metalloprotease 0.0111 1 0.5
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0111 1 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0111 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0088 0.5845 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0088 0.5845 0.322
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0088 0.5845 0.5768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3871 0.3871
Echinococcus multilocularis endothelin converting enzyme 1 0.0111 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3871 0.3758
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0079 0.4297 0.0694
Loa Loa (eye worm) RNA binding protein 0.0076 0.3871 0.3871
Loa Loa (eye worm) hypothetical protein 0.0082 0.4828 0.4828
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0088 0.5845 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3871 0.3758
Toxoplasma gondii peptidase family M13 protein 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.4828 0.4828
Loa Loa (eye worm) hypothetical protein 0.0082 0.4828 0.4828

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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