Detailed information for compound 113915

Basic information

Technical information
  • TDR Targets ID: 113915
  • Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-et hoxyphosphoryl]-1,3-oxazolidin-2-one
  • MW: 402.404 | Formula: C19H19N2O4PS
  • H donors: 0 H acceptors: 3 LogP: 3.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(N1CCOC1=O)Cc1ccc(cc1)c1nc2c(s1)cccc2
  • InChi: 1S/C19H19N2O4PS/c1-2-25-26(23,21-11-12-24-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
  • InChiKey: AMXIVYJIQFAWRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]oxazolidin-2-one
  • 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-oxazolidinone
  • 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-1,3-oxazolidin-2-one
  • 3-[[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]oxazolidin-2-one
  • 104608-42-6
  • Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-oxazolidinyl)-, ethyl ester
  • BRN 4213305
  • Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-oxazolidinyl)phosphinate

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
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0223 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.0541 0.0817
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0097 0.1786 0.1675
Leishmania major cytochrome p450-like protein 0.0042 0.0541 0.0409
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.037 0.7973 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1177 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0223 0.5
Brugia malayi RNA binding protein 0.007 0.1177 0.2866
Echinococcus multilocularis tar DNA binding protein 0.007 0.1177 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.037 0.7973 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1177 1
Echinococcus granulosus tar DNA binding protein 0.007 0.1177 1
Mycobacterium leprae Conserved hypothetical protein 0.0042 0.0541 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.037 0.7973 1
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1177 0.2866
Loa Loa (eye worm) cytochrome P450 0.0042 0.0541 0.0817
Schistosoma mansoni tar DNA-binding protein 0.007 0.1177 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0199 0.4108 0.5
Brugia malayi Cytochrome P450 family protein 0.0042 0.0541 0.1316
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0042 0.0541 0.0409
Brugia malayi Cytochrome P450 family protein 0.0097 0.1786 0.4347
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.037 0.7973 1
Leishmania major cytochrome p450-like protein 0.0097 0.1786 0.2016
Loa Loa (eye worm) hypothetical protein 0.0055 0.0838 0.1583
Brugia malayi Cytochrome P450 family protein 0.0042 0.0541 0.1316
Loa Loa (eye worm) cytochrome P450 family protein 0.0097 0.1786 0.4022
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1177 0.2456
Loa Loa (eye worm) TAR-binding protein 0.007 0.1177 0.2456
Brugia malayi N-terminal motif family protein 0.0199 0.4108 1
Trypanosoma brucei cytochrome P450, putative 0.0097 0.1786 0.2016
Brugia malayi TAR-binding protein 0.007 0.1177 0.2866
Loa Loa (eye worm) CYP4Cod1 0.0097 0.1786 0.4022
Loa Loa (eye worm) cytochrome P450 family protein 0.0097 0.1786 0.4022
Brugia malayi Cytochrome P450 family protein 0.0097 0.1786 0.4347
Leishmania major lanosterol 14-alpha-demethylase, putative 0.037 0.7973 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.037 0.7973 1
Trypanosoma cruzi cytochrome P450, putative 0.0097 0.1786 0.2016
Trypanosoma cruzi cytochrome P450, putative 0.0097 0.1786 0.2016
Schistosoma mansoni tar DNA-binding protein 0.007 0.1177 1
Brugia malayi hypothetical protein 0.0028 0.0223 0.0544
Loa Loa (eye worm) hypothetical protein 0.0199 0.4108 1
Brugia malayi cytochrome P450 0.0042 0.0541 0.1316
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0223 0.5
Loa Loa (eye worm) RNA binding protein 0.007 0.1177 0.2456
Schistosoma mansoni tar DNA-binding protein 0.007 0.1177 1
Leishmania major cytochrome p450-like protein 0.0042 0.0541 0.0409
Mycobacterium leprae putative cytochrome p450 0.0042 0.0541 0.5

Activities

Activity type Activity value Assay description Source Reference
CBF-ID75 (functional) = 77.3 ug kg-1 Coronary vasodialatory activity as increase in coronary blood flow was determined in dogs after i.v. administration of the compound ChEMBL. 2374146
Change in blood flow (functional) 0 % Ability of the compound to increase coronary blood flow after intra duodenal administration at 3 mg/kg in dog; ND = Not determined ChEMBL. 2374146
LD50 (ADMET) = 671 mg kg-1 Lethal effect of the compound was determined after per os administration in mouse for 7 days ChEMBL. 2374146
Max increase (functional) = 141.4 % Coronary vasodialatory activity as increase in coronary flow was determined in dogs after 0.1 mg/kg i.v. administration of the compound; (SE +/- 22.2) ChEMBL. 2374146
pA2 (functional) = 7.59 Calcium antagonistic activity of the compound was determined in isolated guinea pig Tenia coli specimens; (SE +/- 0.13) ChEMBL. 2374146

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

1 literature reference was collected for this gene.

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