Detailed information for compound 1591493

Basic information

Technical information
  • TDR Targets ID: 1591493
  • Name: 6-(2-morpholin-4-ylacetyl)-3-(2-morpholin-4-y lethyl)-1,3-benzoxazol-2-one
  • MW: 375.419 | Formula: C19H25N3O5
  • H donors: 0 H acceptors: 2 LogP: 0.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)oc(=O)n2CCN1CCOCC1)CN1CCOCC1
  • InChi: 1S/C19H25N3O5/c23-17(14-21-7-11-26-12-8-21)15-1-2-16-18(13-15)27-19(24)22(16)4-3-20-5-9-25-10-6-20/h1-2,13H,3-12,14H2
  • InChiKey: MMXXGWXDMPFTDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(2-morpholinoacetyl)-3-(2-morpholinoethyl)-1,3-benzoxazol-2-one
  • 3-(2-morpholinoethyl)-6-(2-morpholino-1-oxoethyl)-1,3-benzoxazol-2-one
  • 6-(2-morpholin-4-ylethanoyl)-3-(2-morpholin-4-ylethyl)-1,3-benzoxazol-2-one
  • AIDS-048557
  • AIDS048557
  • NCI60_032546
  • NSC690657
  • 2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(4-morpholinyl)ethyl]-

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
Schistosoma mansoni survival motor neuron protein 0.0053 0.0658 0.1666
Entamoeba histolytica hypothetical protein 0.0118 0.358 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0 0.5
Entamoeba histolytica hypothetical protein 0.0118 0.358 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0097 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0097 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0097 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.358 0.9064
Brugia malayi MH2 domain containing protein 0.0128 0.402 0.402
Brugia malayi hypothetical protein 0.0118 0.358 0.358
Mycobacterium leprae conserved hypothetical protein 0.0039 0 0.5
Loa Loa (eye worm) inositol-1 0.0041 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0053 0.0658 0.1666
Entamoeba histolytica hypothetical protein 0.0118 0.358 1
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0097 0.0097
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0097 0.0097
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0097 1
Echinococcus granulosus survival motor neuron protein 1 0.026 1 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0097 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.402 0.402
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0097 1
Brugia malayi Inositol-1 0.0041 0.0097 0.0097
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0658 0.0658
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0097 1
Echinococcus multilocularis survival motor neuron protein 1 0.026 1 1
Onchocerca volvulus 0.0053 0.0658 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0097 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.402 0.402
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.9354 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.358 0.358
Loa Loa (eye worm) hypothetical protein 0.026 1 1
Schistosoma mansoni lipoxygenase 0.0126 0.395 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0097 0.0246
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.395 0.395
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.358 0.358
Schistosoma mansoni lipoxygenase 0.0088 0.2239 0.5669
Mycobacterium leprae Probable lipase LipE 0.0039 0 0.5
Entamoeba histolytica hypothetical protein 0.0118 0.358 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0097 0.0246
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0097 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0097 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.395 0.395
Schistosoma mansoni hypothetical protein 0.0118 0.358 0.9064

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) 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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