Detailed information for compound 829702

Basic information

Technical information
  • TDR Targets ID: 829702
  • Name: N-[(4-chlorophenyl)methyl]-2-(7-hydroxy-4-met hyl-2-oxochromen-3-yl)acetamide
  • MW: 357.788 | Formula: C19H16ClNO4
  • H donors: 2 H acceptors: 3 LogP: 2.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCc1ccc(cc1)Cl
  • InChi: 1S/C19H16ClNO4/c1-11-15-7-6-14(22)8-17(15)25-19(24)16(11)9-18(23)21-10-12-2-4-13(20)5-3-12/h2-8,22H,9-10H2,1H3,(H,21,23)
  • InChiKey: YOFAAXFEDLANJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-chlorophenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetamide
  • N-[(4-chlorophenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxo-3-chromenyl)acetamide
  • N-(4-chlorobenzyl)-2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetamide
  • N-[(4-chlorophenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)ethanamide
  • ST5327826
  • ZINC04540659

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
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1688 1 1
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0956 0.5388 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0956 0.5388 0.5
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0956 0.5388 1
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0956 0.5388 0.5
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0513 0.2591 0.5
Loa Loa (eye worm) hypothetical protein 0.034 0.1505 0.041
Treponema pallidum nitrogen fixation protein (rnfC) 0.0213 0.0704 0.5
Schistosoma mansoni hypothetical protein 0.0331 0.1447 0.2686
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0956 0.5388 0.5038
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0956 0.5388 1
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0956 0.5388 0.5
Brugia malayi hypoxia-induced factor 1 0.0314 0.1339 0.2485
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0956 0.5388 0.5
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0956 0.5388 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0331 0.1447 0.0799
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0956 0.5388 1
Mycobacterium ulcerans proteasome PrcA 0.1688 1 1
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0956 0.5388 1
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0956 0.5388 0.5038
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0956 0.5388 0.5
Brugia malayi hypothetical protein 0.034 0.1505 0.2794
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0331 0.1447 0.0799
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0956 0.5388 0.5
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0956 0.5388 0.5

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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