Detailed information for compound 159974

Basic information

Technical information
  • TDR Targets ID: 159974
  • Name: 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxa zol-2-one
  • MW: 268.696 | Formula: C12H13ClN2O3
  • H donors: 0 H acceptors: 1 LogP: 1.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)n(CN1CCOCC1)c(=O)o2
  • InChi: 1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
  • InChiKey: HUXKPGMUERDTKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-3-(morpholinomethyl)-1,3-benzoxazol-2-one
  • 16376-61-7
  • NSC108209
  • 5-Chloro-3-morpholin-4-ylmethyl-3H-benzooxazol-2-one
  • Oprea1_267026
  • BAS 08138395
  • STOCK1S-17926
  • 2(3H)-BENZOXAZOLONE, 5-CHLORO-3-(4-MORPHOLINYLMETHYL)-
  • 2-Benzoxazolinone, 5-chloro-3-(morpholinomethyl)- (8CI)
  • 5-Chloro-3-(4-morpholinylmethyl)-2(3H)-benzoxazolone
  • 5-Chloro-3-(morpholinomethyl)-2-benzoxazolinone
  • BRN 1219941
  • Morfolinometylo-5-chloro-benzoksazolon-2 [Polish]
  • N-(Morpholinomethyl)chlorzoxazone
  • NSC 108209

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL No references
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL No references
Homo sapiens nitric oxide synthase 3 (endothelial cell) Starlite/ChEMBL No references

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
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0091 0.6391 1
Giardia lamblia Nitric oxide synthase, inducible 0.0081 0.5466 0.5
Loa Loa (eye worm) flavodoxin family protein 0.0035 0.1366 0.2092
Loa Loa (eye worm) hypothetical protein 0.0024 0.0375 0.0575
Leishmania major hypothetical protein, conserved 0.0035 0.1366 0.2137
Echinococcus multilocularis methionine synthase reductase 0.0056 0.3278 0.0283
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0035 0.1366 0.1923
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0091 0.6391 0.4783
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0091 0.6391 0.4783
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.1366 0.5
Schistosoma mansoni chromobox protein 0.0054 0.3083 0.1027
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0035 0.1366 0.1923
Loa Loa (eye worm) transcription factor SMAD2 0.0093 0.6529 1
Trichomonas vaginalis chromobox protein, putative 0.0054 0.3083 0.4682
Toxoplasma gondii flavodoxin domain-containing protein 0.0045 0.2291 1
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.1366 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0091 0.6391 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0045 0.2291 1
Trichomonas vaginalis sulfite reductase, putative 0.0091 0.6391 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0091 0.6391 1
Brugia malayi Heterochromatin protein 1 0.0054 0.3083 0.4721
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.1366 0.5
Trichomonas vaginalis chromobox protein, putative 0.0033 0.1166 0.1601
Brugia malayi flavodoxin family protein 0.0091 0.6391 0.9789
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1366 0.2137
Echinococcus granulosus methionine synthase reductase 0.0056 0.3278 0.0283
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0081 0.5466 0.8513
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0035 0.1366 0.2137
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.1366 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.0046 0.2353 0.008
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0035 0.1366 0.1923
Trichomonas vaginalis chromobox protein, putative 0.0033 0.1166 0.1601
Brugia malayi FAD binding domain containing protein 0.0056 0.3278 0.5021
Loa Loa (eye worm) hypothetical protein 0.003 0.096 0.147
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0091 0.6391 1
Leishmania major cytochrome P450 reductase, putative 0.0081 0.5466 0.8552
Trichomonas vaginalis conserved hypothetical protein 0.003 0.096 0.1271
Brugia malayi chromobox protein homolog 3 0.003 0.096 0.147
Trichomonas vaginalis conserved hypothetical protein 0.003 0.096 0.1271
Brugia malayi MH2 domain containing protein 0.0093 0.6529 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0091 0.6391 0.4783
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0035 0.1366 0.2137
Onchocerca volvulus Heterochromatin protein 1 homolog 0.003 0.096 0.7399
Loa Loa (eye worm) hypothetical protein 0.0091 0.6391 0.9789
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0091 0.6391 1
Leishmania major p450 reductase, putative 0.0091 0.6391 1
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.1366 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0091 0.6391 1
Schistosoma mansoni hypothetical protein 0.0132 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0033 0.1166 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0035 0.1366 0.2137
Giardia lamblia Hypothetical protein 0.0081 0.5466 0.5
Trypanosoma cruzi p450 reductase, putative 0.0091 0.6391 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0056 0.3278 0.1281
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0035 0.1366 0.1923
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0091 0.6391 1
Trichomonas vaginalis chromobox protein, putative 0.0054 0.3083 0.4682
Brugia malayi FAD binding domain containing protein 0.0091 0.6391 0.9789
Loa Loa (eye worm) FAD binding domain-containing protein 0.0091 0.6391 0.9789
Schistosoma mansoni cytochrome P450 reductase 0.0091 0.6391 0.5319
Plasmodium vivax flavodoxin domain containing protein 0.0081 0.5466 0.8552
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0091 0.6391 1
Plasmodium falciparum nitric oxide synthase, putative 0.0091 0.6391 1
Brugia malayi flavodoxin family protein 0.0035 0.1366 0.2092
Treponema pallidum flavodoxin 0.0035 0.1366 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0054 0.3083 0.4721
Chlamydia trachomatis sulfite reductase 0.0056 0.3278 0.5
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0035 0.1366 0.2137
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0091 0.6391 1
Schistosoma mansoni chromobox protein 0.0054 0.3083 0.1027
Loa Loa (eye worm) FAD binding domain-containing protein 0.0056 0.3278 0.5021
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0091 0.6391 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0091 0.6391 0.4783
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0035 0.1366 0.2137
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0035 0.1366 0.2137
Schistosoma mansoni hypothetical protein 0.0132 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0093 0.6529 1
Echinococcus multilocularis geminin 0.0132 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.8 uM Inhibitory activity against Inducible nitric oxide synthase ChEMBL. No reference
IC50 (binding) = 0.8 uM Inhibitory activity against Inducible nitric oxide synthase ChEMBL. No reference
IC50 (binding) = 5.6 uM Inhibitory activity against Neuronal nitric oxide synthase ChEMBL. No reference
IC50 (binding) = 5.6 uM Inhibitory activity against Neuronal nitric oxide synthase ChEMBL. No reference
IC50 (binding) = 14.7 uM Inhibitory activity against Endothelial nitric oxide synthase ChEMBL. No reference
IC50 (binding) = 14.7 uM Inhibitory activity against Endothelial nitric oxide synthase 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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