Detailed information for compound 590548

Basic information

Technical information
  • TDR Targets ID: 590548
  • Name: 1,4,5,6,7,8-hexahydroisoxazolo[4,3-c]azepin-3 -one
  • MW: 154.166 | Formula: C7H10N2O2
  • H donors: 2 H acceptors: 1 LogP: 0.09 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1o[nH]c2c1CNCCC2
  • InChi: 1S/C7H10N2O2/c10-7-5-4-8-3-1-2-6(5)9-11-7/h8-9H,1-4H2
  • InChiKey: KZHXNBMVECAIKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,4,5,6,7,8-hexahydro-[1,2]oxazolo[4,3-c]azepin-3-one
  • 5,6,7,8-tetrahydro-4H-isoxazolo(4,3-c)azepin-3-ol
  • 98977-43-6
  • Iso-thao
  • 4H-Isoxazolo(4,3-c)azepin-3-ol, 5,6,7,8-tetrahydro-

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
Onchocerca volvulus 0.008 0.1493 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1084 0.7207
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.4825 0.7439
Echinococcus multilocularis ferritin 0.0019 0.0286 0.0377
Schistosoma mansoni ferritin 0.0019 0.0286 0.0421
Echinococcus multilocularis tar DNA binding protein 0.0197 0.3783 0.5545
Echinococcus multilocularis smad 0.0008 0.0072 0.0061
Echinococcus granulosus smad 0.0008 0.0072 0.0061
Echinococcus granulosus muscleblind protein 0.0172 0.3296 0.4826
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0367 0.2302
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0796 0.1131
Schistosoma mansoni ferritin light chain 0.0019 0.0286 0.0421
Onchocerca volvulus 0.008 0.1493 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1084 0.1557
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.005 0.0131
Loa Loa (eye worm) hypothetical protein 0.008 0.1493 0.23
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0067 0.1239 0.1786
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0072 0.0109
Brugia malayi MH2 domain containing protein 0.0008 0.0072 0.0146
Loa Loa (eye worm) beta-lactamase 0.008 0.1493 0.23
Echinococcus granulosus importin subunit beta 1 0.0031 0.053 0.0738
Schistosoma mansoni ran 0.0023 0.0367 0.054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.005 0.0131
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0063 0.0048
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.1493 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.1493 0.2196
Schistosoma mansoni ferritin 0.0019 0.0286 0.0421
Schistosoma mansoni importin beta-1 0.0031 0.053 0.0779
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.005 0.0131
Mycobacterium tuberculosis Conserved protein 0.008 0.1493 0.1242
Brugia malayi MH1 domain containing protein 0.0008 0.0072 0.0146
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0067 0.1239 0.1786
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0796 0.1647
Schistosoma mansoni hypothetical protein 0.0335 0.6486 0.9541
Mycobacterium leprae Probable lipase LipE 0.008 0.1493 1
Brugia malayi Muscleblind-like protein 0.0172 0.3296 0.6831
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.005 0.0131
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0367 0.2302
Schistosoma mansoni ran 0.0023 0.0367 0.054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.005 0.0131
Echinococcus granulosus geminin 0.035 0.6797 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2231 0.3439
Brugia malayi beta-lactamase family protein 0.008 0.1493 0.3092
Loa Loa (eye worm) TAR-binding protein 0.0197 0.3783 0.5832
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0099 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.1493 0.2161
Brugia malayi Latrophilin receptor protein 2 0.0067 0.1239 0.2566
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0072 0.0109
Trichomonas vaginalis ferritin, putative 0.0019 0.0286 0.1746
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.3783 0.7839
Trichomonas vaginalis esterase, putative 0.008 0.1493 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1493 0.23
Loa Loa (eye worm) hypothetical protein 0.008 0.1493 0.23
Schistosoma mansoni ferritin 0.0019 0.0286 0.0421
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.053 0.3414
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.1493 0.1242
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0099 0.0151
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0413 0.2617
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.0564
Brugia malayi MH2 domain containing protein 0.0118 0.2231 0.4622
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3783 0.5565
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0413 0.2617
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0796 0.1171
Entamoeba histolytica hypothetical protein 0.0025 0.0413 1
Brugia malayi Smad1 0.0008 0.0072 0.0146
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.005 0.0131
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0099 0.0102
Echinococcus multilocularis geminin 0.035 0.6797 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.1493 0.1242
Schistosoma mansoni hypothetical protein 0.0067 0.1239 0.1823
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0335 0.6486 1
Brugia malayi latrophilin 2 splice variant baaae 0.0146 0.2777 0.5754
Schistosoma mansoni apoferritin-2 0.0019 0.0286 0.0421
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Plasmodium vivax importin-beta 2, putative 0.0031 0.053 0.3414
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1493 1
Schistosoma mansoni hypothetical protein 0.0067 0.1239 0.1823
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.1493 0.1242
Schistosoma mansoni Smad4 0.0008 0.0072 0.0106
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0063 0.0048
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0213 0.4103 0.8502
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0097 0.0198
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1084 0.0822
Schistosoma mansoni hypothetical protein 0.0067 0.1239 0.1823
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0796 0.1225
Schistosoma mansoni apoferritin-2 0.0019 0.0286 0.0421
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0796 0.1171
Mycobacterium tuberculosis Probable hydrolase 0.008 0.1493 0.1242
Loa Loa (eye worm) RNA binding protein 0.0197 0.3783 0.5832
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.1493 0.2161
Mycobacterium tuberculosis Conserved protein 0.008 0.1493 0.1242
Loa Loa (eye worm) hypothetical protein 0.0067 0.1239 0.1909
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.1493 0.2196
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1493 1
Echinococcus granulosus cpg binding protein 0.0032 0.0547 0.0763
Schistosoma mansoni cpg binding protein 0.0032 0.0547 0.0804
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0072 0.0061
Schistosoma mansoni hypothetical protein 0.035 0.6797 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3783 0.5565
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3783 0.5565
Echinococcus multilocularis expressed protein 0.0019 0.0286 0.0377
Brugia malayi Calcitonin receptor-like protein seb-1 0.0213 0.4103 0.8502
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3783 0.5565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0796 0.1171
Loa Loa (eye worm) Smad1 0.0008 0.0072 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0367 0.2302
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0019 0.0286 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0063 0.0092
Brugia malayi TAR-binding protein 0.0197 0.3783 0.7839
Echinococcus multilocularis snurportin 1 0.0335 0.6486 0.9539
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.5
Brugia malayi beta-lactamase 0.008 0.1493 0.3092
Mycobacterium leprae conserved hypothetical protein 0.008 0.1493 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0072 0.0061
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.1493 0.23
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1084 0.6616
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.1493 1
Brugia malayi RNA binding protein 0.0197 0.3783 0.7839
Echinococcus granulosus GPCR family 2 0.0067 0.1239 0.1786
Schistosoma mansoni cpg binding protein 0.003 0.0513 0.0754
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.053 0.3414
Schistosoma mansoni tar DNA-binding protein 0.0197 0.3783 0.5565
Mycobacterium ulcerans beta-lactamase 0.008 0.1493 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1493 0.23
Echinococcus multilocularis muscleblind protein 1 0.0172 0.3296 0.4826
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0413 0.2617
Schistosoma mansoni cpg binding protein 0.0032 0.0547 0.0804
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.1493 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0513 0.1059
Schistosoma mansoni ferritin light chain 0.0019 0.0286 0.0421
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Trichomonas vaginalis ran, putative 0.0023 0.0367 0.2302
Echinococcus multilocularis Smad4 0.0008 0.0072 0.0061
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0106
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0063 0.0048
Brugia malayi kap beta 3 protein 0.0006 0.0031 0.006
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0072 0.0106
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0106
Echinococcus granulosus snurportin 1 0.0335 0.6486 0.9539
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0067 0.1239 0.1786
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.3783 0.5832
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.005 0.0131
Leishmania major hypothetical protein, conserved 0.008 0.1493 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0063 0.0048
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1084 0.1595
Loa Loa (eye worm) latrophilin receptor protein 2 0.0067 0.1239 0.1909
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1084 0.6616
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.1493 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0796 0.1131
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0367 0.0497
Brugia malayi Importin beta-1 subunit 0.0031 0.053 0.1095
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Loa Loa (eye worm) hypothetical protein 0.0146 0.2777 0.4281
Loa Loa (eye worm) hypothetical protein 0.008 0.1493 0.23
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2231 0.3439
Mycobacterium ulcerans lipase LipD 0.008 0.1493 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.3296 0.5082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0213 0.4103 0.6325
Schistosoma mansoni hypothetical protein 0.035 0.6797 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1084 0.7207
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1048 0.6957
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0031 0.0045
Echinococcus granulosus expressed protein 0.0019 0.0286 0.0377
Entamoeba histolytica Ran family GTPase 0.0023 0.0367 0.8795
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.1493 0.1242
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0031 0.0045
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0072 0.0061
Echinococcus multilocularis cpg binding protein 0.0032 0.0547 0.0763
Toxoplasma gondii ABC1 family protein 0.008 0.1493 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1084 0.6616
Onchocerca volvulus 0.008 0.1493 1
Schistosoma mansoni hypothetical protein 0.0067 0.1239 0.1823
Loa Loa (eye worm) hypothetical protein 0.008 0.1493 0.23
Brugia malayi MH2 domain containing protein 0.0008 0.0072 0.0146
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0072 0.0061
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.1493 0.3092
Loa Loa (eye worm) hypothetical protein 0.0213 0.4103 0.6325
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.1493 0.1242
Mycobacterium ulcerans hypothetical protein 0.008 0.1493 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0067 0.1239 0.2566
Brugia malayi beta-lactamase family protein 0.008 0.1493 0.3092
Trichomonas vaginalis helicase, putative 0.0007 0.005 0.0131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0796 0.1131
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.1493 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.053 0.0815
Brugia malayi MH1 domain containing protein 0.0008 0.0072 0.0146
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1084 0.1595
Schistosoma mansoni hypothetical protein 0.0146 0.2777 0.4086
Leishmania major GTP-binding protein, putative 0.0023 0.0367 0.2302
Plasmodium falciparum importin beta, putative 0.0031 0.053 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.1493 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Schistosoma mansoni ferritin 0.0019 0.0286 0.0421
Trypanosoma brucei hypothetical protein, conserved 0.008 0.1493 1
Echinococcus multilocularis importin subunit beta 1 0.0031 0.053 0.0738
Loa Loa (eye worm) hypothetical protein 0.0172 0.3296 0.5082
Echinococcus granulosus ferritin 0.0019 0.0286 0.0377
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0367 0.0497
Plasmodium vivax hypothetical protein, conserved 0.008 0.1493 1
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.1493 0.1242
Schistosoma mansoni smad 0.0008 0.0072 0.0106
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.6744
Echinococcus granulosus Smad4 0.0008 0.0072 0.0061
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.053 0.3414
Schistosoma mansoni importin-beta 2 0.0006 0.0031 0.0045
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.0758
Brugia malayi follicle stimulating hormone receptor 0.025 0.4825 1
Echinococcus multilocularis GPCR, family 2 0.0067 0.1239 0.1786
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.005 0.0131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0796 0.1131
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1493 1
Brugia malayi RNA, U transporter 1 0.0089 0.1665 0.3448
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0067 0.1239 0.1786
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.005 0.0131
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0513 0.0788
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1183 0.1741
Echinococcus granulosus tar DNA binding protein 0.0197 0.3783 0.5545
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1084 0.1557
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0413 0.041
Echinococcus multilocularis muscleblind protein 0.0172 0.3296 0.4826
Leishmania major importin beta-1 subunit, putative 0.0025 0.0413 0.2617
Mycobacterium tuberculosis Conserved protein 0.008 0.1493 0.1242
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0106
Treponema pallidum bacterioferrin (TpF1) 0.0019 0.0286 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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