Detailed information for compound 1329097

Basic information

Technical information
  • TDR Targets ID: 1329097
  • Name: (5S,6S)-6-methyl-5,7-dihydro-4H-1,2-benzoxazo le-5,6-dicarboxylic acid
  • MW: 225.198 | Formula: C10H11NO5
  • H donors: 2 H acceptors: 5 LogP: 0.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H]1Cc2cnoc2C[C@]1(C)C(=O)O
  • InChi: 1S/C10H11NO5/c1-10(9(14)15)3-7-5(4-11-16-7)2-6(10)8(12)13/h4,6H,2-3H2,1H3,(H,12,13)(H,14,15)/t6-,10+/m1/s1
  • InChiKey: RAVRHPCEEPYXMV-LDWIPMOCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5S,6S)-6-methyl-5,7-dihydro-4H-indoxazene-5,6-dicarboxylic acid
  • 6-methyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-5,6-dicarboxylic acid
  • MLS000705152
  • SMR000230408
  • AC-776/15493018

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
Loa Loa (eye worm) hypothetical protein 0.0025 0.045 0.045
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0683 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0071 0.1608 0.1608
Loa Loa (eye worm) MH1 domain-containing protein 0.0028 0.0527 0.0527
Echinococcus multilocularis Smad4 0.0028 0.0527 0.106
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.045 0.6009
Schistosoma mansoni hypothetical protein 0.0071 0.1608 0.222
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0683 0.0683
Loa Loa (eye worm) glutaminase 0.0296 0.7241 0.7241
Schistosoma mansoni hypothetical protein 0.0071 0.1608 0.222
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0224 0.5439 0.5439
Brugia malayi MH1 domain containing protein 0.0028 0.0527 0.0527
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0071 0.1608 0.3235
Trichomonas vaginalis glutaminase, putative 0.0296 0.7241 1
Schistosoma mansoni Smad4 0.0028 0.0527 0.0727
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2989 0.4128
Brugia malayi N-terminal motif family protein 0.001 0.0082 0.0082
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.01 0.02
Loa Loa (eye worm) hypothetical protein 0.001 0.0082 0.0082
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0023 0.0032
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.011 0.0222
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0008 0.0023 0.0047
Schistosoma mansoni dishevelled 0.0011 0.01 0.0137
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.01 0.02
Brugia malayi hypothetical protein 0.0016 0.0232 0.0232
Echinococcus multilocularis mothers against decapentaplegic 5 0.0028 0.0527 0.106
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0023 0.0032
Brugia malayi DIX domain containing protein 0.0011 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0015 0.0217 0.0217
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0683 1
Brugia malayi N-terminal motif family protein 0.0008 0.0023 0.0023
Brugia malayi MH1 domain containing protein 0.0028 0.0527 0.0527
Echinococcus granulosus Protein son of sevenless 0.0008 0.0023 0.0047
Echinococcus granulosus mothers against decapentaplegic 2 0.0012 0.0144 0.0289
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0028 0.0527 0.0727
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.2989 0.2989
Schistosoma mansoni hypothetical protein 0.0071 0.1608 0.222
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.01 0.02
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.01 0.02
Echinococcus granulosus mothers against decapentaplegic 5 0.0028 0.0527 0.106
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0071 0.1608 0.3235
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0683 1
Brugia malayi RasGEF domain containing protein 0.001 0.0082 0.0082
Loa Loa (eye worm) nuclear factor I 0.0015 0.0217 0.0217
Brugia malayi Smad1 0.0028 0.0527 0.0527
Loa Loa (eye worm) glutaminase 2 0.0296 0.7241 0.7241
Schistosoma mansoni hypothetical protein 0.0153 0.3666 0.5062
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0683 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.01 0.01
Schistosoma mansoni smad1 5 8 and 0.0028 0.0527 0.0727
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0071 0.1608 0.1608
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0023 0.0032
Loa Loa (eye worm) MH2 domain-containing protein 0.0406 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0683 0.1374
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.045 0.647
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Brugia malayi N-terminal motif family protein 0.0216 0.523 0.523
Schistosoma mansoni regulator of G protein signaling 0.0011 0.01 0.0137
Loa Loa (eye worm) hypothetical protein 0.0011 0.01 0.01
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0683 0.0683
Schistosoma mansoni hypothetical protein 0.0071 0.1608 0.222
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.01 0.02
Brugia malayi RasGEF domain containing protein 0.0008 0.0023 0.0023
Schistosoma mansoni smad 0.0028 0.0527 0.0727
Echinococcus multilocularis smad 0.0028 0.0527 0.106
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0205 0.497 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2989 0.4128
Loa Loa (eye worm) RNA binding protein 0.0126 0.2989 0.2989
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0008 0.0023 0.0047
Echinococcus multilocularis mothers against decapentaplegic 2 0.0012 0.0144 0.0289
Echinococcus granulosus GPCR family 2 0.0071 0.1608 0.3235
Brugia malayi Latrophilin receptor protein 2 0.0071 0.1608 0.1608
Loa Loa (eye worm) RasGEF domain-containing protein 0.001 0.0082 0.0082
Onchocerca volvulus 0.0011 0.01 0.0146
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0216 0.523 1
Echinococcus multilocularis son of sevenless 1 0.0008 0.0023 0.0047
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0028 0.0527 0.106
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0153 0.3666 0.3666
Schistosoma mansoni smad 0.0012 0.0144 0.0198
Echinococcus multilocularis ras GTP exchange factor 0.0008 0.0023 0.0047
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0224 0.5439 0.5439
Echinococcus granulosus TGF beta signal transducer SmadC 0.0028 0.0527 0.106
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0683 0.1374
Brugia malayi Tyrosine-protein kinase abl-1 0.0084 0.1928 0.1928
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0683 0.1374
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Brugia malayi hypothetical protein 0.0025 0.045 0.045
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.2989 0.2989
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Brugia malayi MH2 domain containing protein 0.0028 0.0527 0.0527
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0683 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2989 0.4128
Schistosoma mansoni Smad4 0.0012 0.0144 0.0198
Schistosoma mansoni dep domain containing protein 0.0011 0.01 0.0137
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Schistosoma mansoni Smad4 0.0012 0.0144 0.0198
Brugia malayi mothers against decapentaplegic homolog 3 0.0012 0.0144 0.0144
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0683 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0683 0.1374
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0683 0.0943
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0011 0.011 0.0152
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.01 0.01
Brugia malayi latrophilin 2 splice variant baaae 0.0153 0.3666 0.3666
Loa Loa (eye worm) MH2 domain-containing protein 0.0012 0.0144 0.0144
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.01 0.0137
Loa Loa (eye worm) hypothetical protein 0.0078 0.1782 0.1782
Brugia malayi RasGEF domain containing protein 0.0008 0.0023 0.0023
Echinococcus granulosus ras GTP exchange factor 0.0008 0.0023 0.0047
Echinococcus granulosus tar DNA binding protein 0.0126 0.2989 0.6015
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.011 0.0222
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.01 0.0137
Loa Loa (eye worm) MH1 domain-containing protein 0.0012 0.0144 0.0144
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0144 0.0144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0071 0.1608 0.3235
Echinococcus multilocularis mothers against decapentaplegic 6 0.0012 0.0144 0.0289
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.01 0.01
Schistosoma mansoni tyrosine kinase 0.0202 0.4896 0.6761
Echinococcus multilocularis tyrosine protein kinase Abl 0.0084 0.1928 0.3879
Loa Loa (eye worm) hypothetical protein 0.0011 0.01 0.01
Echinococcus granulosus mothers against decapentaplegic 6 0.0012 0.0144 0.0289
Loa Loa (eye worm) transcription factor SMAD2 0.0406 1 1
Echinococcus granulosus Smad4 0.0028 0.0527 0.106
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0023 0.0032
Brugia malayi MH1 domain containing protein 0.0015 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0224 0.5439 0.5439
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2989 0.4128
Brugia malayi TAR-binding protein 0.0126 0.2989 0.2989
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2989 0.4128
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.01 0.02
Brugia malayi MH2 domain containing protein 0.0028 0.0527 0.0527
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0683 1
Schistosoma mansoni glutaminase 0.0296 0.7241 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0683 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1608 0.1608
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.01 0.02
Loa Loa (eye worm) hypothetical protein 0.0216 0.523 0.523
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Echinococcus granulosus son of sevenless 1 0.0008 0.0023 0.0047
Schistosoma mansoni smad1 5 8 and 0.0028 0.0527 0.0727
Brugia malayi MH2 domain containing protein 0.0012 0.0144 0.0144
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.045 0.647
Brugia malayi RNA binding protein 0.0126 0.2989 0.2989
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.01 0.01
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0008 0.0023 0.0047
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0014 0.0019
Loa Loa (eye worm) MH2 domain-containing protein 0.0028 0.0527 0.0527
Echinococcus multilocularis tar DNA binding protein 0.0126 0.2989 0.6015
Brugia malayi Calcitonin receptor-like protein seb-1 0.0224 0.5439 0.5439
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.01 0.0146
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0071 0.1608 0.3235
Echinococcus multilocularis Protein son of sevenless 0.0008 0.0023 0.0047
Brugia malayi Tyrosine-protein kinase abl-1 0.0124 0.2948 0.2948
Echinococcus granulosus tyrosine protein kinase ABL1 0.0205 0.497 1
Brugia malayi glutaminase DH11.1 0.0296 0.7241 0.7241
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0012 0.0144 0.0231
Loa Loa (eye worm) TAR-binding protein 0.0126 0.2989 0.2989
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.01 0.02
Brugia malayi hypothetical protein 0.0011 0.01 0.01
Schistosoma mansoni dishevelled 0.0011 0.01 0.0137
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.01 0.02
Brugia malayi hypothetical protein 0.0011 0.01 0.01
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0683 1
Loa Loa (eye worm) Smad1 0.0028 0.0527 0.0527
Echinococcus granulosus smad 0.0028 0.0527 0.106
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0683 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0023 0.0023
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0008 0.0023 0.0047
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0023 0.0023
Loa Loa (eye worm) TK/ABL protein kinase 0.0205 0.497 0.497
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0023 0.0023
Echinococcus multilocularis GPCR, family 2 0.0071 0.1608 0.3235
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Entamoeba histolytica hypothetical protein 0.0008 0.0023 0.5
Brugia malayi isocitrate dehydrogenase 0.0034 0.0683 0.0683
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0023 0.0032
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.01 0.02
Mycobacterium ulcerans glutaminase 0.0296 0.7241 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0023 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0683 0.1374
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0683 0.1374
Schistosoma mansoni smad1 5 8 and 0.0028 0.0527 0.0727
Brugia malayi MH1 domain containing protein 0.0015 0.0217 0.0217

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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