Detailed information for compound 656555

Basic information

Technical information
  • TDR Targets ID: 656555
  • Name: 2-(4-ethoxyphenyl)-1,3-dihydrobenzo[f][1,3]be nzoxazine
  • MW: 305.37 | Formula: C20H19NO2
  • H donors: 0 H acceptors: 0 LogP: 4.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N1COc2c(C1)c1ccccc1cc2
  • InChi: 1S/C20H19NO2/c1-2-22-17-10-8-16(9-11-17)21-13-19-18-6-4-3-5-15(18)7-12-20(19)23-14-21/h3-12H,2,13-14H2,1H3
  • InChiKey: BUGRBLIRHCZREP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • BIM-0047191.P001
  • Oprea1_321097
  • CBMicro_047261
  • ST5181342
  • ZINC00123342
  • EU-0005839

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 aldehyde dehydrogenase 0.0059 0.1401 0.1215
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0472 0.0493
Echinococcus granulosus tar DNA binding protein 0.0064 0.1563 0.138
Plasmodium falciparum importin beta, putative 0.003 0.0472 0.0507
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.01 0.2755 0.3311
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0282 0.0132
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0079 0.2074 0.3777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0986 0.0791
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0282 0.0132
Loa Loa (eye worm) IMP dehydrogenase 1 0.0184 0.549 0.5392
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0212 0.0386
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0286 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3399 0.3256
Trypanosoma cruzi GMP reductase 0.0184 0.549 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0472 0.0493
Leishmania major hypothetical protein, conserved 0.0024 0.0282 0.0132
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0084 0.2222 0.2006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0986 0.0791
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0986 0.1796
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1563 0.138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0986 0.0791
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0184 0.549 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0472 0.0266
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0184 0.549 0.5392
Entamoeba histolytica hypothetical protein 0.0024 0.0286 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0282 0.0136
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1401 0.1215
Echinococcus multilocularis importin subunit beta 1 0.003 0.0472 0.0266
Loa Loa (eye worm) RNA binding protein 0.0064 0.1563 0.138
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0184 0.549 1
Brugia malayi MH2 domain containing protein 0.012 0.3399 0.6191
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0184 0.549 0.5392
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1563 0.138
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0282 0.0132
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0986 0.0791
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1563 0.138
Plasmodium vivax importin-beta 2, putative 0.003 0.0472 0.0507
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0179 0.5342 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0184 0.549 1
Brugia malayi TAR-binding protein 0.0064 0.1563 0.2846
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0184 0.549 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1563 0.138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0986 0.0791
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0184 0.549 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.0286 0.014
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0212 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0184 0.549 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3399 0.3256
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1563 0.138
Brugia malayi hypothetical protein 0.0024 0.0282 0.0513
Leishmania major inosine-5-monophosphate dehydrogenase 0.0184 0.549 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0472 0.0493
Loa Loa (eye worm) hypothetical protein 0.0024 0.0282 0.0071
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1563 0.138
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1563 0.2846
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1401 0.2254
Echinococcus granulosus importin subunit beta 1 0.003 0.0472 0.0266
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0286 0.014
Loa Loa (eye worm) GMP reductase 0.0079 0.2074 0.1902
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1401 0.1215
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0184 0.549 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1401 0.2254
Trypanosoma cruzi GMP reductase 0.0184 0.549 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0179 0.5342 0.9638
Trypanosoma brucei GMP reductase 0.0184 0.549 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.01 0.2755 0.1633
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0184 0.549 0.5392
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0184 0.549 0.5
Brugia malayi RNA binding protein 0.0064 0.1563 0.2846
Schistosoma mansoni importin beta-1 0.003 0.0472 0.0266
Schistosoma mansoni hypothetical protein 0.0322 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0184 0.549 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1401 0.1215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0986 0.0791
Leishmania major guanosine monophosphate reductase 0.0184 0.549 1
Onchocerca volvulus Putative GMP reductase 0.0079 0.2074 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0282 0.0136
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0179 0.5342 1
Echinococcus multilocularis snurportin 1 0.0322 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0282 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1563 0.138
Brugia malayi Importin beta-1 subunit 0.003 0.0472 0.0859
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0986 0.0791
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0286 1
Brugia malayi RNA, U transporter 1 0.0086 0.2287 0.4167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0986 0.0791
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0079 0.2074 0.3777
Toxoplasma gondii IMP dehydrogenas 0.0184 0.549 1
Brugia malayi GMP reductase 0.0079 0.2074 0.3777
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1563 0.138
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0282 0.0136
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0286 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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