Detailed information for compound 258985

Basic information

Technical information
  • TDR Targets ID: 258985
  • Name: 4-amino-4,5,6,7-tetrahydro-1,2-benzoxazol-3-o ne
  • MW: 154.166 | Formula: C7H10N2O2
  • H donors: 2 H acceptors: 2 LogP: 0.02 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1CCCc2c1c(O)no2
  • InChi: 1S/C7H10N2O2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h4H,1-3,8H2,(H,9,10)
  • InChiKey: OAJLTKZYCPGQMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-azanyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
  • 4-amino-4,5,6,7-tetrahydroindoxazen-3-one

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
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0139 1
Echinococcus granulosus snurportin 1 0.0314 0.522 1
Echinococcus multilocularis conserved hypothetical protein 0.0578 0.9933 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0139 0.014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0447 0.0856
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0139 1
Echinococcus multilocularis conserved hypothetical protein 0.0578 0.9933 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0139 0.1253
Loa Loa (eye worm) hypothetical protein 0.0029 0.0139 0.0266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0447 0.0447
Plasmodium vivax importin-beta 2, putative 0.0029 0.0139 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.522 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0447 0.4035
Echinococcus multilocularis snurportin 1 0.0314 0.522 0.5255
Plasmodium falciparum importin beta, putative 0.0029 0.0139 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0139 1
Echinococcus granulosus importin subunit beta 1 0.0029 0.0139 0.0266
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0039 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0447 0.0856
Leishmania major importin beta-1 subunit, putative 0.0024 0.0039 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0447 0.0856
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0447 0.045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0447 0.045
Schistosoma mansoni hypothetical protein 0.0314 0.522 0.522
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0039 1
Schistosoma mansoni importin beta-1 0.0029 0.0139 0.0139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0447 0.0447
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0039 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0447 0.0447
Entamoeba histolytica hypothetical protein 0.0024 0.0039 1
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0039 1
Brugia malayi RNA, U transporter 1 0.0084 0.1107 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 181 uM Inhibition of GABA uptake into crude synaptosomes prepared from adult rat brain ChEMBL. 10639282
IC50 (functional) = 208 uM Effect of the compound on glial GABA(1 microM) uptake was measured using astrocytes cultured from cerebral cortices of new born mice. ChEMBL. 10639282
IC50 (functional) = 208 uM Effect of the compound on glial GABA(1 microM) uptake was measured using astrocytes cultured from cerebral cortices of new born mice. ChEMBL. 10639282
IC50 (functional) = 883 uM Effect of the compound on neuronal GABA(1 microM) uptake was measured using neurons cultured from cerebral cortices of 15-day-old mouse embryos. ChEMBL. 10639282
IC50 (functional) = 883 uM Effect of the compound on neuronal GABA(1 microM) uptake was measured using neurons cultured from cerebral cortices of 15-day-old mouse embryos. ChEMBL. 10639282

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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