Detailed information for compound 1018654

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.356 | Formula: C19H18N2O6
  • H donors: 2 H acceptors: 3 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1NC(=O)/C(=C\c2cc(OC)c(c(c2)OC)O)/C1=O
  • InChi: 1S/C19H18N2O6/c1-25-13-6-4-12(5-7-13)21-19(24)14(18(23)20-21)8-11-9-15(26-2)17(22)16(10-11)27-3/h4-10,22H,1-3H3,(H,20,23)/b14-8+
  • InChiKey: BTDLPEHOWYMZIT-RIYZIHGNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0436 0.2836
Brugia malayi TAR-binding protein 0.0142 0.3833 0.5889
Brugia malayi Pre-SET motif family protein 0.0033 0.06 0.0922
Schistosoma mansoni intermediate filament proteins 0.0029 0.0463 0.0463
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.1319 0.2034
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0065 0.1538 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0808 0.0808
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.068 0.0911
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0808 0.5251
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.1256 0.1937
Brugia malayi mbt repeat family protein 0.0055 0.1256 0.1929
Leishmania major DNA polymerase eta, putative 0.004 0.0808 0.5251
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0065 0.1538 0.6941
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.1484 0.2289
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.06 0.2709
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0808 0.5251
Echinococcus granulosus intermediate filament protein 0.0029 0.0463 0.0715
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.2216 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.1484 0.2289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1046 0.1046
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.1484 0.1484
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.001
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0463 0.0712
Brugia malayi RNA binding protein 0.0142 0.3833 0.5889
Echinococcus multilocularis geminin 0.0171 0.4686 0.7228
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0568 0.3689
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.001
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0509 0.2294
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0231 0.6482 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0808 0.5251
Schistosoma mansoni ap endonuclease 0.0065 0.1538 0.1538
Echinococcus multilocularis dna polymerase kappa 0.004 0.0808 0.1246
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.1256 0.1256
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0065 0.1538 0.5588
Loa Loa (eye worm) TAR-binding protein 0.0142 0.3833 0.5889
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0065 0.1538 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 0.5
Brugia malayi mbt repeat family protein 0.0055 0.1256 0.1929
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.06 0.06
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0808 0.1241
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.068 0.4417
Schistosoma mansoni lamin 0.0029 0.0463 0.0463
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0068 0.0104
Brugia malayi Inositol-1 0.0036 0.068 0.1044
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.2216 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1046 0.1613
Echinococcus multilocularis lamin dm0 0.0029 0.0463 0.0715
Toxoplasma gondii hypothetical protein 0.003 0.0509 0.2294
Onchocerca volvulus 0.0264 0.7463 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0808 0.5251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1046 0.1046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1046 0.1046
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0068 0.0104
Trichomonas vaginalis ap endonuclease, putative 0.0065 0.1538 0.2061
Echinococcus multilocularis dna polymerase eta 0.004 0.0808 0.1246
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.6509 1
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0808 0.0835
Loa Loa (eye worm) hypothetical protein 0.004 0.0808 0.1241
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.1256 0.1683
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0065 0.1538 1
Onchocerca volvulus 0.0033 0.06 0.0805
Echinococcus granulosus lamin 0.0029 0.0463 0.0715
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0808 0.5251
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3833 0.3833
Schistosoma mansoni hypothetical protein 0.0171 0.4686 0.4686
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 1
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.1256 0.1929
Brugia malayi RNA recognition motif domain containing protein 0.0142 0.3833 0.5889
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.068 0.3066
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0065 0.1538 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0013 0.0004 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0436 0.2836
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0013 0.0004 0.0006
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0022 0.0034
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0065 0.1538 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.06 0.0926
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.068 0.1048
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.2216 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.3687 0.5664
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.0034
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0808 0.1241
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0142 0.3833 0.5889
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0022 0.0034
Echinococcus multilocularis lamin 0.0029 0.0463 0.0715
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.068 0.4417
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0509 0.2294
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3833 0.3833
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.068 0.1048
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.1256 0.1256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1046 0.1606
Trypanosoma brucei unspecified product 0.0028 0.0436 0.2836
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0808 0.5251
Trichomonas vaginalis set domain proteins, putative 0.0264 0.7463 1
Trichomonas vaginalis ap endonuclease, putative 0.0065 0.1538 0.2061
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.06 0.06
Brugia malayi intermediate filament protein 0.0029 0.0463 0.0712
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1046 0.1606
Echinococcus granulosus dna polymerase eta 0.004 0.0808 0.1246
Trypanosoma brucei unspecified product 0.004 0.0808 0.5251
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3833 0.3833
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0808 0.1241
Echinococcus granulosus geminin 0.0171 0.4686 0.7228
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0463 0.0712
Loa Loa (eye worm) hypothetical protein 0.0029 0.0463 0.0712
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.068 0.0911
Echinococcus granulosus lamin dm0 0.0029 0.0463 0.0715
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.068 0.4417
Brugia malayi Pre-SET motif family protein 0.0232 0.6509 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.06 0.0926
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.1319 0.8573
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.1319 0.8573
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0568 0.0346
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 1
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.1319 0.2034
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3833 0.3833
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.2216 0.3419
Onchocerca volvulus 0.0029 0.0463 0.0621
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.1319 0.4744
Schistosoma mansoni inositol monophosphatase 0.0036 0.068 0.068
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0065 0.1538 0.2363
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.1484 0.2289
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.06 0.0926
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Giardia lamblia DINP protein human, muc B family 0.004 0.0808 0.5251
Loa Loa (eye worm) inositol-1 0.0036 0.068 0.1044
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0436 0.2836
Echinococcus multilocularis tar DNA binding protein 0.0142 0.3833 0.5913
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.06 0.06
Loa Loa (eye worm) hypothetical protein 0.0063 0.1484 0.2279
Loa Loa (eye worm) hypothetical protein 0.0028 0.0448 0.0688
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0065 0.1538 0.5588
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0065 0.1538 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1046 0.1613
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.1484 0.2289
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.1256 0.1937
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.068 0.4417
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.2216 0.2216
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0808 0.1082
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Schistosoma mansoni ap endonuclease 0.0065 0.1538 0.1538
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 1
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.1256 0.1256
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0808 0.0808
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0808 0.5251
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0065 0.1538 0.2373
Echinococcus multilocularis musashi 0.0029 0.0463 0.0715
Brugia malayi exodeoxyribonuclease III family protein 0.0065 0.1538 0.2363
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0808 0.5251
Brugia malayi MH2 domain containing protein 0.0137 0.3687 0.5664
Onchocerca volvulus 0.0029 0.0463 0.0621
Echinococcus granulosus dna polymerase kappa 0.004 0.0808 0.1246
Trypanosoma brucei unspecified product 0.0028 0.0436 0.2836
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0065 0.1538 0.2373
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0808 0.5251
Schistosoma mansoni inositol monophosphatase 0.0036 0.068 0.068
Loa Loa (eye worm) RNA binding protein 0.0142 0.3833 0.5889
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0808 0.5251
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0231 0.6482 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.068 0.0911
Loa Loa (eye worm) hypothetical protein 0.0055 0.1256 0.1929
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0808 0.5251
Leishmania major DNA polymerase kappa, putative 0.004 0.0808 0.5251
Schistosoma mansoni DNA polymerase eta 0.004 0.0808 0.0808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1046 0.1613
Toxoplasma gondii exonuclease III APE 0.0065 0.1538 0.6941
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0808 0.5251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1046 0.1613
Brugia malayi CCR4 0.0013 0.0004 0.0006
Schistosoma mansoni lamin 0.0029 0.0463 0.0463
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0065 0.1538 1
Plasmodium vivax SET domain protein, putative 0.0033 0.06 0.2709
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0808 0.1246
Loa Loa (eye worm) hypothetical protein 0.0088 0.2216 0.3405
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0808 0.1246
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0564 0.087
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.1256 0.1937
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.1256 0.1937
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0509 0.2294
Treponema pallidum exodeoxyribonuclease (exoA) 0.0065 0.1538 0.6941
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0808 0.5251
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3833 0.3833
Echinococcus granulosus tar DNA binding protein 0.0142 0.3833 0.5913
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.068 0.4417
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.06 0.06
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.2216 0.3419
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0463 0.0712
Schistosoma mansoni hypothetical protein 0.0171 0.4686 0.4686
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0808 0.1082
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.2216 1
Onchocerca volvulus 0.0055 0.1256 0.1683
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0065 0.1538 0.6941
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.2216 1
Brugia malayi Probable ClpP-like protease 0.0088 0.2216 0.3405
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.1484 0.2279
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0808 0.0835
Loa Loa (eye worm) hypothetical protein 0.0033 0.06 0.0922
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0808 0.5251
Loa Loa (eye worm) MBCTL1 0.0063 0.1484 0.2279
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.3687 0.5664

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 uM Inhibition of Dyrk1 autophosphorylation ChEMBL. 19282176

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

1 literature reference was collected for this gene.

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