Detailed information for compound 828690

Basic information

Technical information
  • TDR Targets ID: 828690
  • Name: 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-( 3-propan-2-yloxypropyl)acetamide
  • MW: 320.383 | Formula: C17H24N2O4
  • H donors: 2 H acceptors: 2 LogP: 1.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1Oc2ccc(cc2NC1=O)C)NCCCOC(C)C
  • InChi: 1S/C17H24N2O4/c1-11(2)22-8-4-7-18-16(20)10-15-17(21)19-13-9-12(3)5-6-14(13)23-15/h5-6,9,11,15H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
  • InChiKey: JQSCSMZNWDCHHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-isopropoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
  • N-(3-isopropoxypropyl)-2-(3-keto-6-methyl-4H-1,4-benzoxazin-2-yl)acetamide
  • 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(3-propan-2-yloxypropyl)ethanamide

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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0118 0.0774 0.1153
Loa Loa (eye worm) hypothetical protein 0.016 0.1168 0.1168
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.005 0.0152 0.0108
Onchocerca volvulus 0.0043 0.0088 0.0127
Schistosoma mansoni kinase 0.0349 0.2912 0.4826
Echinococcus multilocularis tar DNA binding protein 0.0396 0.3347 0.5546
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.016 0.1168 0.1936
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0181 0.1355
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0076 0.0389 0.0644
Trypanosoma cruzi hypothetical protein, conserved 0.0438 0.3732 0.6129
Schistosoma mansoni transcription factor LCR-F1 0.0482 0.4139 0.6859
Echinococcus multilocularis isocitrate dehydrogenase 0.0118 0.0774 0.1282
Brugia malayi Smad1 0.0076 0.0389 0.0389
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0095 0.0157
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0088 0.0146
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.016 0.1168 0.1168
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0327 0.2714 0.4497
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0118 0.0774 0.1153
Brugia malayi beta-lactamase family protein 0.0043 0.0088 0.0088
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0389 0.0389
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0118 0.0774 0.1153
Schistosoma mansoni hypothetical protein 0.016 0.1168 0.1936
Mycobacterium ulcerans hypothetical protein 0.005 0.0152 0.0132
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0181 0.0156
Loa Loa (eye worm) hypothetical protein 0.0043 0.0088 0.0088
Echinococcus granulosus disco interacting protein 2 0.0038 0.0035 0.0059
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.005 0.0152 0.0132
Loa Loa (eye worm) glutaminase 2 0.0568 0.4938 0.4938
Schistosoma mansoni smad1 5 8 and 0.0076 0.0389 0.0644
Mycobacterium ulcerans hypothetical protein 0.005 0.0152 0.0132
Echinococcus multilocularis citrate lyase subunit beta protein 0.005 0.0152 0.0252
Trypanosoma brucei polo-like protein kinase 0.0687 0.6034 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0118 0.0774 0.1282
Schistosoma mansoni tar DNA-binding protein 0.0396 0.3347 0.5546
Schistosoma mansoni hypothetical protein 0.016 0.1168 0.1936
Schistosoma mansoni tar DNA-binding protein 0.0396 0.3347 0.5546
Loa Loa (eye worm) hypothetical protein 0.0781 0.691 0.691
Schistosoma mansoni serine/threonine protein kinase 0.0687 0.6034 1
Loa Loa (eye worm) TAR-binding protein 0.0396 0.3347 0.3347
Loa Loa (eye worm) pip kinase 2 0.0327 0.2714 0.2714
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.016 0.1168 0.1936
Schistosoma mansoni hypothetical protein 0.016 0.1168 0.1936
Toxoplasma gondii isocitrate dehydrogenase 0.0118 0.0774 1
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0327 0.2714 0.4497
Trypanosoma cruzi hypothetical protein, conserved 0.0438 0.3732 0.6129
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0118 0.0774 0.1282
Loa Loa (eye worm) hypothetical protein 0.0327 0.2714 0.2714
Schistosoma mansoni hypothetical protein 0.0346 0.2888 0.4787
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0482 0.4139 0.6859
Trypanosoma cruzi polo-like protein kinase, putative 0.0687 0.6034 1
Echinococcus granulosus geminin 0.0164 0.12 0.1988
Loa Loa (eye worm) hypothetical protein 0.0043 0.0088 0.0088
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0118 0.0774 0.1282
Brugia malayi Latrophilin receptor protein 2 0.016 0.1168 0.1168
Brugia malayi MH2 domain containing protein 0.0076 0.0389 0.0389
Trypanosoma cruzi polo-like protein kinase, putative 0.0687 0.6034 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0095 0.0157
Loa Loa (eye worm) hypothetical protein 0.0054 0.0181 0.0181
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0687 0.6034 0.6034
Brugia malayi TAR-binding protein 0.0396 0.3347 0.3347
Trichomonas vaginalis Citrate lyase beta chain, putative 0.005 0.0152 0.0108
Schistosoma mansoni tar DNA-binding protein 0.0396 0.3347 0.5546
Brugia malayi MH1 domain containing protein 0.0076 0.0389 0.0389
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0088 0.0146
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0687 0.6034 1
Brugia malayi glutaminase DH11.1 0.0568 0.4938 0.4938
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0088 0.5
Schistosoma mansoni hypothetical protein 0.016 0.1168 0.1936
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0118 0.0774 0.1282
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.005 0.0152 0.0132
Brugia malayi MH1 domain containing protein 0.0042 0.0075 0.0075
Brugia malayi Pip kinase protein 2 0.0327 0.2714 0.2714
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.005 0.0152 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0396 0.3347 0.5546
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0181 0.0156
Brugia malayi beta-lactamase 0.0043 0.0088 0.0088
Toxoplasma gondii isocitrate dehydrogenase 0.0118 0.0774 1
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Brugia malayi latrophilin 2 splice variant baaae 0.0346 0.2888 0.2888
Loa Loa (eye worm) transcription factor SMAD2 0.1115 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0095 0.0157
Echinococcus granulosus citrate lyase subunit beta protein 0.005 0.0152 0.0252
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0118 0.0774 0.1282
Schistosoma mansoni tar DNA-binding protein 0.0396 0.3347 0.5546
Loa Loa (eye worm) RNA binding protein 0.0396 0.3347 0.3347
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0687 0.6034 0.8733
Brugia malayi MH1 domain containing protein 0.0076 0.0389 0.0389
Echinococcus multilocularis smad 0.0076 0.0389 0.0644
Loa Loa (eye worm) MH2 domain-containing protein 0.1115 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0482 0.4139 0.6859
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0687 0.6034 1
Schistosoma mansoni Smad4 0.0076 0.0389 0.0644
Echinococcus multilocularis Smad4 0.0076 0.0389 0.0644
Loa Loa (eye worm) hypothetical protein 0.0042 0.0075 0.0075
Brugia malayi isocitrate dehydrogenase 0.0118 0.0774 0.0774
Echinococcus granulosus tar DNA binding protein 0.0396 0.3347 0.5546
Brugia malayi MH2 domain containing protein 0.0076 0.0389 0.0389
Leishmania major hypothetical protein, conserved 0.0054 0.0181 0.0156
Schistosoma mansoni hypothetical protein 0.0482 0.4139 0.6859
Loa Loa (eye worm) hypothetical protein 0.0043 0.0088 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0095 0.0157
Loa Loa (eye worm) hypothetical protein 0.0507 0.4371 0.4371
Echinococcus granulosus TGF beta signal transducer SmadC 0.0076 0.0389 0.0644
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0118 0.0774 0.1153
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0389 0.0389
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0035 0.0059
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Brugia malayi hypothetical protein 0.0054 0.0181 0.0181
Schistosoma mansoni smad 0.0076 0.0389 0.0644
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0181 0.0156
Schistosoma mansoni hypothetical protein 0.0164 0.12 0.1988
Trichomonas vaginalis CAMK family protein kinase 0.034 0.2829 0.4609
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0327 0.2714 0.4497
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0454 0.4601
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.005 0.0152 0.0295
Echinococcus multilocularis mothers against decapentaplegic 5 0.0076 0.0389 0.0644
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0088 0.0146
Brugia malayi hypothetical protein 0.0035 0.0005 0.0005
Echinococcus granulosus Smad4 0.0076 0.0389 0.0644
Onchocerca volvulus 0.0043 0.0088 0.0127
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0507 0.4371 0.4371
Echinococcus granulosus GPCR family 2 0.016 0.1168 0.1936
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2255 1
Loa Loa (eye worm) glutaminase 0.0568 0.4938 0.4938
Loa Loa (eye worm) beta-lactamase 0.0043 0.0088 0.0088
Brugia malayi beta-lactamase family protein 0.0043 0.0088 0.0088
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0118 0.0774 1
Brugia malayi RNA recognition motif domain containing protein 0.0396 0.3347 0.3347
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0118 0.0774 0.1282
Brugia malayi Isocitrate dehydrogenase 0.0118 0.0774 0.0774
Brugia malayi hypothetical protein 0.0781 0.691 0.691
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0076 0.0389 0.0644
Onchocerca volvulus 0.0043 0.0088 0.0127
Onchocerca volvulus 0.0327 0.2714 0.3927
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0088 0.0088
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0327 0.2714 0.4497
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0088 0.0088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0095 0.0095
Trypanosoma brucei hypothetical protein, conserved 0.0438 0.3732 0.6129
Brugia malayi MH1 domain containing protein 0.0042 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0043 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0088 0.0088
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0088 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0088 0.0088
Loa Loa (eye worm) latrophilin receptor protein 2 0.016 0.1168 0.1168
Echinococcus multilocularis GPCR, family 2 0.016 0.1168 0.1936
Trichomonas vaginalis CAMK family protein kinase 0.034 0.2829 0.4609
Loa Loa (eye worm) hypothetical protein 0.0346 0.2888 0.2888
Schistosoma mansoni smad1 5 8 and 0.0076 0.0389 0.0644
Loa Loa (eye worm) Smad1 0.0076 0.0389 0.0389
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.005 0.0152 0.0108
Echinococcus granulosus mothers against decapentaplegic 5 0.0076 0.0389 0.0644
Schistosoma mansoni smad1 5 8 and 0.0076 0.0389 0.0644
Mycobacterium ulcerans glutaminase 0.0568 0.4938 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0118 0.0774 0.3165
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Leishmania major hypothetical protein, conserved 0.0438 0.3732 0.6129
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0095 0.0157
Echinococcus granulosus smad 0.0076 0.0389 0.0644
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0507 0.4371 0.4371
Entamoeba histolytica serine/threonine protein kinase, putative 0.0687 0.6034 1
Onchocerca volvulus 0.0781 0.691 1
Brugia malayi hypothetical protein 0.0482 0.4139 0.4139
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.016 0.1168 0.1936
Onchocerca volvulus 0.0038 0.0035 0.0051
Loa Loa (eye worm) hypothetical protein 0.0038 0.0035 0.0035
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.005 0.0152 0.0108
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0095 0.0157
Brugia malayi Calcitonin receptor-like protein seb-1 0.0507 0.4371 0.4371
Toxoplasma gondii hypothetical protein 0.0083 0.0454 0.5333
Loa Loa (eye worm) isocitrate dehydrogenase 0.0118 0.0774 0.0774
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0118 0.0774 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0088 0.0146
Loa Loa (eye worm) nuclear factor I 0.0042 0.0075 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0687 0.6034 1
Mycobacterium tuberculosis Conserved protein 0.005 0.0152 0.0295
Brugia malayi RNA binding protein 0.0396 0.3347 0.3347
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0396 0.3347 0.3347
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0035 0.0059
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0181 0.1355
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.016 0.1168 0.1936
Echinococcus multilocularis geminin 0.0164 0.12 0.1988
Giardia lamblia Kinase, PLK 0.0687 0.6034 0.5
Trichomonas vaginalis glutaminase, putative 0.0568 0.4938 0.8157
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0687 0.6034 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0095 0.0095
Brugia malayi serine/threonine-protein kinase plk-2 0.0687 0.6034 0.6034
Schistosoma mansoni glutaminase 0.0568 0.4938 0.8184
Schistosoma mansoni hypothetical protein 0.0164 0.12 0.1988
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0035 0.0035
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0118 0.0774 0.1153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0095 0.0157

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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