Detailed information for compound 620995

Basic information

Technical information
  • TDR Targets ID: 620995
  • Name: methyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl )oxyacetate
  • MW: 324.327 | Formula: C19H16O5
  • H donors: 0 H acceptors: 2 LogP: 3.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)COc1ccc2c(c1)oc(=O)c(c2C)c1ccccc1
  • InChi: 1S/C19H16O5/c1-12-15-9-8-14(23-11-17(20)22-2)10-16(15)24-19(21)18(12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
  • InChiKey: ADDQEDMVPZKJPG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-(4-methyl-2-oxo-3-phenyl-chromen-7-yl)oxyacetate
  • 2-[(4-methyl-2-oxo-3-phenyl-7-chromenyl)oxy]acetic acid methyl ester
  • 2-(2-keto-4-methyl-3-phenyl-chromen-7-yl)oxyacetic acid methyl ester
  • methyl 2-(4-methyl-2-oxo-3-phenyl-chromen-7-yl)oxyethanoate
  • ZINC04340137

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum NADH oxidase 0.006 0.0313 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.1665 0.1539
Trichomonas vaginalis glutathione reductase, putative 0.006 0.0313 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0393 0.6892 0.8837
Mycobacterium tuberculosis Probable reductase 0.0393 0.6892 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.006 0.0313 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.006 0.0313 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0437 0.7757 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.3905 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0437 0.7757 1
Brugia malayi Thioredoxin reductase 0.0172 0.2535 0.6493
Brugia malayi RNA binding protein 0.0128 0.1665 0.4265
Echinococcus multilocularis tumor protein p63 0.0351 0.6067 1
Toxoplasma gondii thioredoxin reductase 0.0172 0.2535 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0172 0.2535 0.2985
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0393 0.6892 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.006 0.0313 0.0801
Giardia lamblia NADH oxidase lateral transfer candidate 0.006 0.0313 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0172 0.2535 1
Plasmodium falciparum glutathione reductase 0.0172 0.2535 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.1665 0.4038
Echinococcus granulosus thioredoxin glutathione reductase 0.0173 0.2555 0.3897
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.006 0.0313 0.5
Brugia malayi MH2 domain containing protein 0.0242 0.3905 1
Brugia malayi glutathione reductase 0.0172 0.2535 0.6493
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.006 0.0313 0.0166
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0393 0.6892 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.006 0.0313 0.5
Leishmania major trypanothione reductase 0.0172 0.2535 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.006 0.0313 0.5
Trypanosoma brucei trypanothione reductase 0.0172 0.2535 1
Loa Loa (eye worm) glutathione reductase 0.0172 0.2535 0.6353
Plasmodium vivax glutathione reductase, putative 0.0172 0.2535 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.1665 0.2351
Schistosoma mansoni tar DNA-binding protein 0.0128 0.1665 0.1539
Mycobacterium tuberculosis Probable dehydrogenase 0.0393 0.6892 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0172 0.2535 1
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.1665 0.4265
Echinococcus granulosus tar DNA binding protein 0.0128 0.1665 0.2351
Loa Loa (eye worm) TAR-binding protein 0.0128 0.1665 0.4038
Echinococcus granulosus tumor protein p63 0.0351 0.6067 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.1665 0.1539
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0393 0.6892 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0437 0.7757 1
Trichomonas vaginalis mercuric reductase, putative 0.006 0.0313 0.5
Plasmodium falciparum thioredoxin reductase 0.0172 0.2535 1
Onchocerca volvulus 0.0051 0.0149 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.1665 0.1539
Mycobacterium tuberculosis Probable oxidoreductase 0.0437 0.7757 1
Brugia malayi TAR-binding protein 0.0128 0.1665 0.4265
Echinococcus multilocularis thioredoxin glutathione reductase 0.0173 0.2555 0.3897
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.3905 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.1665 0.1539
Loa Loa (eye worm) thioredoxin reductase 0.0172 0.2535 0.6353
Mycobacterium ulcerans flavoprotein disulfide reductase 0.006 0.0313 0.5
Loa Loa (eye worm) RNA binding protein 0.0128 0.1665 0.4038

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.