Detailed information for compound 258965

Basic information

Technical information
  • TDR Targets ID: 258965
  • Name: (4S)-4-amino-4,5,6,7-tetrahydro-1,2-benzoxazo l-3-one
  • MW: 154.166 | Formula: C7H10N2O2
  • H donors: 2 H acceptors: 2 LogP: 0.02 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1CCCc2c1c(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)/t4-/m0/s1
  • InChiKey: OAJLTKZYCPGQMS-BYPYZUCNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4S)-4-azanyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
  • (4S)-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
Entamoeba histolytica hypothetical protein 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
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0039 1
Brugia malayi RNA, U transporter 1 0.0084 0.1107 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0447 0.0447
Schistosoma mansoni importin beta-1 0.0029 0.0139 0.0139
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0039 1
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0447 0.045
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0039 1
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 granulosus importin subunit beta 1 0.0029 0.0139 0.0266
Plasmodium falciparum importin beta, putative 0.0029 0.0139 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0139 1
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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0447 0.4035
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.522 1
Echinococcus multilocularis snurportin 1 0.0314 0.522 0.5255
Brugia malayi Importin beta-1 subunit 0.0029 0.0139 0.1253
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0139 1
Echinococcus multilocularis conserved hypothetical protein 0.0578 0.9933 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0447 0.0856
Loa Loa (eye worm) hypothetical protein 0.0029 0.0139 0.0266
Echinococcus multilocularis conserved hypothetical protein 0.0578 0.9933 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0139 0.014
Echinococcus granulosus snurportin 1 0.0314 0.522 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0139 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 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; not determined ChEMBL. 10639282
IC50 (functional) uM Effect of the compound on glial GABA(1 microM) uptake was measured using astrocytes cultured from cerebral cortices of new born mice; not determined ChEMBL. 10639282
IC50 (functional) 0 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; not determined ChEMBL. 10639282
IC50 (functional) 0 uM Effect of the compound on glial GABA(1 microM) uptake was measured using astrocytes cultured from cerebral cortices of new born mice; not determined ChEMBL. 10639282
IC50 (functional) > 300 uM Inhibition of GABA uptake into crude synaptosomes prepared from adult rat brain 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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