Detailed information for compound 675906

Basic information

Technical information
  • TDR Targets ID: 675906
  • Name: N-(2,6-dimethylphenyl)-2-oxo-8-prop-2-enylchr omene-3-carboxamide
  • MW: 333.38 | Formula: C21H19NO3
  • H donors: 1 H acceptors: 2 LogP: 4.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1cccc2c1oc(=O)c(c2)C(=O)Nc1c(C)cccc1C
  • InChi: 1S/C21H19NO3/c1-4-7-15-10-6-11-16-12-17(21(24)25-19(15)16)20(23)22-18-13(2)8-5-9-14(18)3/h4-6,8-12H,1,7H2,2-3H3,(H,22,23)
  • InChiKey: BHRIQGZMGYYOQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-allyl-N-(2,6-dimethylphenyl)-2-oxo-chromene-3-carboxamide
  • 8-allyl-N-(2,6-dimethylphenyl)-2-oxo-3-chromenecarboxamide
  • 8-allyl-N-(2,6-dimethylphenyl)-2-keto-chromene-3-carboxamide
  • N-(2,6-dimethylphenyl)-2-oxo-8-prop-2-enyl-chromene-3-carboxamide
  • Oprea1_375352
  • Oprea1_745078
  • ZINC00310412

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 0.003 0.0578 0.0168
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0114 0.0114
Plasmodium vivax importin-beta 2, putative 0.003 0.0572 0.8991
Echinococcus granulosus lamin 0.0026 0.0488 0.0488
Schistosoma mansoni ran 0.0022 0.0386 0.0386
Echinococcus granulosus intermediate filament protein 0.0026 0.0488 0.0488
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0578 0.0782
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.3057 0.4133
Echinococcus granulosus GPCR family 2 0.0017 0.0257 0.0257
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0148 0.3359 0.5
Brugia malayi Pre-SET motif family protein 0.0033 0.0636 0.1238
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Echinococcus multilocularis dnaJ subfamily B 0.0428 1 1
Echinococcus multilocularis tar DNA binding protein 0.0135 0.3057 0.3057
Echinococcus granulosus smad 0.0009 0.0068 0.0068
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0068 0.0068
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0439 0.0625
Schistosoma mansoni lamin 0.0026 0.0488 0.0488
Entamoeba histolytica Ran family GTPase 0.0022 0.0386 0.055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.2141 0.2141
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Schistosoma mansoni cpg binding protein 0.0032 0.0619 0.0619
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0257 0.0501
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3057 0.3057
Brugia malayi Importin beta-1 subunit 0.003 0.0572 0.1113
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0386 0.6744
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0199 0.027
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0028 0.004
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0071 0.0071
Schistosoma mansoni smad1 5 8 and 0.0009 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0114 0.0114
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0028 0.004
Schistosoma mansoni cpg binding protein 0.0032 0.0619 0.0619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0028 0.004
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0148 0.3359 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0302 0.7016 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0572 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Echinococcus multilocularis Smad4 0.0009 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0012 0.0155 0.021
Brugia malayi MH2 domain containing protein 0.0125 0.2824 0.5496
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0386 0.3105
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0166 0.0166
Echinococcus granulosus tar DNA binding protein 0.0135 0.3057 0.3057
Schistosoma mansoni importin beta-1 0.003 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.003 0.0572 0.0773
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1102 0.149
Trichomonas vaginalis ran, putative 0.0022 0.0386 0.055
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1102 0.2144
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0257 0.0257
Schistosoma mansoni smad 0.0009 0.0068 0.0068
Brugia malayi Pre-SET motif family protein 0.0223 0.5138 1
Schistosoma mansoni lamin 0.0026 0.0488 0.0488
Echinococcus multilocularis GPCR, family 2 0.0017 0.0257 0.0257
Brugia malayi intermediate filament protein 0.0026 0.0488 0.0949
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0257 0.0348
Loa Loa (eye worm) RNA binding protein 0.0135 0.3057 0.4133
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Echinococcus granulosus cpg binding protein 0.0032 0.0619 0.0619
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0636 0.0636
Echinococcus multilocularis cpg binding protein 0.0032 0.0619 0.0619
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0439 1
Echinococcus granulosus lamin dm0 0.0026 0.0488 0.0488
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1404 0.1404
Loa Loa (eye worm) hypothetical protein 0.0036 0.0711 0.0961
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0386 0.0751
Loa Loa (eye worm) hypothetical protein 0.0017 0.0257 0.0348
Plasmodium falciparum importin beta, putative 0.003 0.0572 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0488 0.066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0636 0.0636
Brugia malayi RNA, U transporter 1 0.0085 0.1872 0.3644
Leishmania major GTP-binding protein, putative 0.0022 0.0386 0.8795
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0112 0.0217
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Loa Loa (eye worm) TAR-binding protein 0.0135 0.3057 0.4133
Leishmania major importin beta-1 subunit, putative 0.0024 0.0439 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0071 0.0071
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0148 0.3359 0.5
Onchocerca volvulus 0.0033 0.0636 0.0276
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.3057 0.5949
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0257 0.0257
Brugia malayi MH1 domain containing protein 0.0009 0.0068 0.0133
Echinococcus granulosus importin subunit beta 1 0.003 0.0572 0.0572
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0028 0.004
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0439 0.0625
Brugia malayi MH2 domain containing protein 0.0009 0.0068 0.0133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.2141 0.2141
Schistosoma mansoni hypothetical protein 0.0017 0.0257 0.0257
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0012 0.0155 0.021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1102 0.2144
Echinococcus multilocularis snurportin 1 0.0318 0.7396 0.7396
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3057 0.3057
Echinococcus multilocularis geminin 0.0177 0.4061 0.4061
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0636 0.0636
Schistosoma mansoni Smad4 0.0009 0.0068 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3057 0.3057
Echinococcus granulosus snurportin 1 0.0318 0.7396 0.7396
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.2824 0.3819
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2141 0.2141
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Echinococcus multilocularis musashi 0.0026 0.0488 0.0488
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0068 0.0068
Loa Loa (eye worm) Smad1 0.0009 0.0068 0.0092
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Trichomonas vaginalis helicase, putative 0.0007 0.0028 0.004
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1242 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0488 0.0488
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Brugia malayi MH2 domain containing protein 0.0009 0.0068 0.0133
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0593 0.0593
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0488 0.0949
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0071 0.0071
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3057 0.3057
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0068 0.0092
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0386 0.0386
Brugia malayi Smad1 0.0009 0.0068 0.0133
Schistosoma mansoni hypothetical protein 0.0017 0.0257 0.0257
Echinococcus multilocularis lamin 0.0026 0.0488 0.0488
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0636 0.0636
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0052 0.1102 0.149
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.2824 0.3819
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0028 0.004
Giardia lamblia Fructose-bisphosphate aldolase 0.0302 0.7016 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2141 0.2141
Brugia malayi RNA binding protein 0.0135 0.3057 0.5949
Echinococcus multilocularis importin subunit beta 1 0.003 0.0572 0.0572
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.2141 0.4166
Echinococcus multilocularis lamin dm0 0.0026 0.0488 0.0488
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0068 0.0068
Schistosoma mansoni ran 0.0022 0.0386 0.0386
Entamoeba histolytica hypothetical protein 0.0024 0.0439 0.0625
Echinococcus multilocularis smad 0.0009 0.0068 0.0068
Echinococcus granulosus geminin 0.0177 0.4061 0.4061
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0318 0.7396 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0028 0.004
Schistosoma mansoni hypothetical protein 0.0177 0.4061 0.4061
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0386 0.0521
Trichomonas vaginalis set domain proteins, putative 0.0253 0.5865 0.8359
Treponema pallidum fructose-bisphosphate aldolase 0.0302 0.7016 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0711 0.0711
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0386 0.6744
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.2141 0.2141
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0386 0.6064
Loa Loa (eye worm) hypothetical protein 0.0033 0.0636 0.086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0114 0.0155
Plasmodium vivax SET domain protein, putative 0.0033 0.0636 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.7016 1
Brugia malayi MH1 domain containing protein 0.0009 0.0068 0.0133
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0017 0.0257 0.0257
Schistosoma mansoni cpg binding protein 0.003 0.0578 0.0578
Schistosoma mansoni hypothetical protein 0.0177 0.4061 0.4061
Onchocerca volvulus 0.0253 0.5865 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0572 0.4604
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0257 0.0501
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0636 0.512
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0488 0.066
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0028 0.004
Brugia malayi CXXC zinc finger family protein 0.003 0.0578 0.1125
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0068 0.0092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.2141 0.2141
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0013 0.0166 0.0225
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0572 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0636 0.0636
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0428 1 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0068 0.0068
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0199 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0386 0.0386
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.2141 0.2894
Loa Loa (eye worm) hypothetical protein 0.0026 0.0476 0.0644
Schistosoma mansoni hypothetical protein 0.0318 0.7396 0.7396
Brugia malayi TAR-binding protein 0.0135 0.3057 0.5949
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0017 0.0257 0.0257
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.5138 0.6948
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0711 0.1383
Loa Loa (eye worm) hypothetical protein 0.0026 0.0488 0.066
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0257 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2141 0.2141
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3057 0.3057
Echinococcus granulosus Smad4 0.0009 0.0068 0.0068
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0302 0.7016 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0028 0.004
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0439 0.0625
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0028 0.004

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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