Detailed information for compound 665159

Basic information

Technical information
  • TDR Targets ID: 665159
  • Name: 4-methyl-7-(1-oxo-1-phenylbutan-2-yl)oxychrom en-2-one
  • MW: 322.355 | Formula: C20H18O4
  • H donors: 0 H acceptors: 2 LogP: 4.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)c1ccccc1)Oc1ccc2c(c1)oc(=O)cc2C
  • InChi: 1S/C20H18O4/c1-3-17(20(22)14-7-5-4-6-8-14)23-15-9-10-16-13(2)11-19(21)24-18(16)12-15/h4-12,17H,3H2,1-2H3
  • InChiKey: MBMUYZNCTXYWPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[1-(benzoyl)propoxy]-4-methyl-chromen-2-one
  • 4-methyl-7-[1-(oxo-phenylmethyl)propoxy]-2-chromenone
  • 7-[1-(benzoyl)propoxy]-4-methyl-coumarin
  • 4-methyl-7-(1-oxo-1-phenyl-butan-2-yl)oxy-chromen-2-one
  • AK-918/42179383
  • STK327410

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
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0312 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.6883 0.8837
Plasmodium falciparum glutathione reductase 0.0051 0.2532 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.321 0.1593
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.6883 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0062 0.321 0.2991
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.3256 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.321 0.4728
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.679 1
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0312 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.2532 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.7748 1
Toxoplasma gondii thioredoxin reductase 0.0051 0.2532 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.321 0.2991
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.2532 0.2985
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0312 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.3256 0.3039
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0312 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.321 0.2991
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.3256 1
Brugia malayi MH2 domain containing protein 0.0116 0.679 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.3256 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.321 0.1593
Schistosoma mansoni hypothetical protein 0.0165 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.2532 0.2291
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.3256 0.4795
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.7748 1
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.2532 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.2532 0.2291
Echinococcus granulosus tar DNA binding protein 0.0062 0.321 0.2991
Schistosoma mansoni tar DNA-binding protein 0.0062 0.321 0.2991
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.321 0.1593
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0312 0.046
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.3256 0.3039
Schistosoma mansoni hypothetical protein 0.0165 1 1
Brugia malayi RNA binding protein 0.0062 0.321 0.4728
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.7748 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.7748 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.321 0.2991
Treponema pallidum NADH oxidase 0.0018 0.0312 0.5
Echinococcus multilocularis geminin 0.0165 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.6883 0.8837
Trypanosoma brucei trypanothione reductase 0.0051 0.2532 1
Brugia malayi Thioredoxin reductase 0.0051 0.2532 0.3729
Plasmodium falciparum thioredoxin reductase 0.0051 0.2532 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.6883 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0312 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.321 0.2991
Brugia malayi glutathione reductase 0.0051 0.2532 0.3729
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.3256 0.3039
Mycobacterium tuberculosis Probable reductase 0.0117 0.6883 0.8837
Leishmania major trypanothione reductase 0.0051 0.2532 0.754
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.2979 0.1049
Brugia malayi TAR-binding protein 0.0062 0.321 0.4728
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.3256 0.3959
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.679 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.6883 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0312 0.5
Plasmodium vivax glutathione reductase, putative 0.0051 0.2532 1

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.

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