Detailed information for compound 904460

Basic information

Technical information
  • TDR Targets ID: 904460
  • Name: ethyl 2-(6-oxobenzo[c]isochromen-3-yl)oxyprop anoate
  • MW: 312.317 | Formula: C18H16O5
  • H donors: 0 H acceptors: 2 LogP: 3.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2cccc1)C
  • InChi: 1S/C18H16O5/c1-3-21-17(19)11(2)22-12-8-9-14-13-6-4-5-7-15(13)18(20)23-16(14)10-12/h4-11H,3H2,1-2H3
  • InChiKey: BGWRAFUTSSOCHA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(6-oxo-3-benzo[c]isochromenyl)oxy]propanoic acid ethyl ester
  • 2-(6-ketobenzo[c]isochromen-3-yl)oxypropionic acid ethyl ester
  • Oprea1_704881
  • 2-(6-Oxo-6H-benzo[c]chromen-3-yloxy)-propionic acid ethyl ester
  • BAS 00872370
  • AE-848/36959568
  • ST5108578
  • EU-0068710
  • Oprea1_699232

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
Schistosoma mansoni cpg binding protein 0.0065 0.0386 0.0398
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0228 0.0228
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0213 0.0538
Brugia malayi jmjC domain containing protein 0.0042 0.0213 0.0538
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0.0042 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0017 0.0017
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0006 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.1045 0.78 0.78
Loa Loa (eye worm) cytochrome P450 0.0019 0.0042 0.0104
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0.0042 0.5
Plasmodium falciparum kinesin-5 0.0173 0.1207 1
Plasmodium vivax kinesin-5 0.0173 0.1207 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0017 0.0017
Brugia malayi jmjC domain containing protein 0.0104 0.0679 0.1723
Schistosoma mansoni survival motor neuron protein 0.0109 0.0719 0.0784
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0213 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Echinococcus multilocularis kinesin family 1 0.1335 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0062 0.0361 0.0914
Loa Loa (eye worm) hypothetical protein 0.0077 0.0477 0.121
Echinococcus granulosus geminin 0.0184 0.1287 0.1287
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0006 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.0477 0.0504
Entamoeba histolytica kinesin, putative 0.0173 0.1207 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0185 0.0185
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0213 0.0213
Schistosoma mansoni hypothetical protein 0.0036 0.0164 0.0142
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0123 0.031
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.0679 0.0679
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0134 0.0134
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0.0042 0.5
Brugia malayi MH2 domain containing protein 0.014 0.0955 0.2423
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0.0042 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.0747 0.1895
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0.0042 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0113 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0.0042 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0.0042 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0415
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0164 0.0164
Echinococcus multilocularis survival motor neuron protein 1 0.0534 0.3937 0.3937
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0113 1
Echinococcus granulosus dnaJ subfamily B 0.0924 0.6887 0.6887
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0.0042 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0019 0.0042 0.0042
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0.0042 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0228 0.0228
Echinococcus granulosus neuropeptide s receptor 0.1045 0.78 0.78
Schistosoma mansoni hypothetical protein 0.0924 0.6887 0.7918
Schistosoma mansoni hypothetical protein 0.1162 0.8687 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.0679 0.0679
Echinococcus multilocularis neuropeptide s receptor 0.1045 0.78 0.78
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.0747 0.1895
Loa Loa (eye worm) kinesin-like protein KLP2 0.0173 0.1207 0.3065
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0134 0.0107
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.0955 0.2423
Loa Loa (eye worm) hypothetical protein 0.0032 0.0134 0.0339
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0006 0.5
Brugia malayi Cytochrome P450 family protein 0.0062 0.0361 0.0914
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0113 0.0285
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0213 0.0198
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0113 0.0747 0.1895
Echinococcus granulosus neuropeptide receptor A26 0.1045 0.78 0.78
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0518 0.0551
Schistosoma mansoni hypothetical protein 0.0184 0.1287 0.144
Echinococcus granulosus microtubule associated protein 2 0.0749 0.5564 0.5564
Giardia lamblia Kinesin-5 0.0173 0.1207 1
Mycobacterium leprae putative cytochrome p450 0.0019 0.0042 0.5
Echinococcus multilocularis cpg binding protein 0.0069 0.0414 0.0414
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0164 0.0164
Brugia malayi Cytochrome P450 family protein 0.0019 0.0042 0.0104
Schistosoma mansoni hypothetical protein 0.0032 0.0134 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.1287 0.144
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0.0042 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0.0042 0.5
Brugia malayi Bromodomain containing protein 0.0032 0.0134 0.0339
Toxoplasma gondii kinesin motor domain-containing protein 0.0173 0.1207 1
Echinococcus granulosus cpg binding protein 0.0069 0.0414 0.0414
Onchocerca volvulus 0.0109 0.0719 1
Plasmodium falciparum phd finger protein, putative 0.0032 0.0134 0.109
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0.0042 0.5
Loa Loa (eye worm) hypothetical protein 0.0534 0.3937 1
Echinococcus multilocularis peregrin 0.0032 0.0134 0.0134
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0.0042 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0164 0.0142
Schistosoma mansoni kinesin eg-5 0.0173 0.1207 0.1348
Trichomonas vaginalis helicase, putative 0.0015 0.0006 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0134 0.0339
Loa Loa (eye worm) CXXC zinc finger family protein 0.0065 0.0386 0.0977
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0.0042 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0006 0.5
Schistosoma mansoni hypothetical protein 0.0109 0.0719 0.0784
Loa Loa (eye worm) histone methyltransferase 0.002 0.0047 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0006 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0.0042 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0749 0.5564 0.6388
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0.0042 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.0113 0.0285
Echinococcus multilocularis 0.0019 0.0042 0.0042
Onchocerca volvulus 0.0065 0.0386 0.4298
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0006 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0164 0.0142
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0047 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0305 0.0773
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0134 0.109
Brugia malayi PHD-finger family protein 0.0032 0.0134 0.0339
Echinococcus multilocularis microtubule associated protein 2 0.0749 0.5564 0.5564
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0164 0.0415
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0.0042 0.5
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0113 0.0285
Echinococcus granulosus peregrin 0.0032 0.0134 0.0134
Brugia malayi hypothetical protein 0.0534 0.3937 1
Brugia malayi Kinesin motor domain containing protein 0.0173 0.1207 0.3065
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0138 0.0936 0.1034
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0047 0.0047
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.0955 0.2423
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0026 0.0095 0.0061
Schistosoma mansoni cpg binding protein 0.0069 0.0414 0.043
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0.0042 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0534 0.3937 0.3937
Mycobacterium leprae Conserved hypothetical protein 0.0019 0.0042 0.5
Echinococcus multilocularis GPCR, family 2 0.0036 0.0164 0.0164
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0389 0.0987
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Echinococcus granulosus GPCR family 2 0.0036 0.0164 0.0164
Leishmania major cytochrome p450-like protein 0.0029 0.0113 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0017 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0.0042 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0.0042 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0164 0.0164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.0747 0.1895
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0006 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0134 0.0792
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0134 0.0792
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.0113 0.0285
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0164 0.0164
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0017 0.0017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0109 0.0719 0.1825
Schistosoma mansoni hypothetical protein 0.0036 0.0164 0.0142
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0164 0.0415
Brugia malayi CXXC zinc finger family protein 0.0065 0.0386 0.0977
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0477 0.121
Brugia malayi cytochrome P450 0.0019 0.0042 0.0104
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0113 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0123 0.0825 0.6717
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0006 0.5
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0164 0.0415
Schistosoma mansoni cpg binding protein 0.0069 0.0414 0.043
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0006 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0113 1
Echinococcus multilocularis dnaJ subfamily B 0.0924 0.6887 0.6887
Echinococcus multilocularis geminin 0.0184 0.1287 0.1287
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0113 0.0285

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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