Detailed information for compound 587641

Basic information

Technical information
  • TDR Targets ID: 587641
  • Name: (3,5-dibromo-4-hydroxy-phenyl)-(2-ethylbenzof uran-3-yl)methanone; 1,2-dihydropyrazolo[3,4- d]pyrimidin-4-one
  • MW: 560.195 | Formula: C22H16Br2N4O4
  • H donors: 3 H acceptors: 3 LogP: 4.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=c1ncnc2c1c[nH][nH]2.CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)cccc2
  • InChi: 1S/C17H12Br2O3.C5H4N4O/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9;10-5-3-1-8-9-4(3)6-2-7-5/h3-8,21H,2H2,1H3;1-2H,(H2,6,7,8,9,10)
  • InChiKey: MYCGQBIGBSKSLQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-3-benzofuranyl)methanone; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
  • (3,5-dibromo-4-hydroxy-phenyl)-(2-ethyl-1-benzofuran-3-yl)methanone; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
  • (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
  • allomaron
  • (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone; 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
  • (3,5-dibromo-4-hydroxy-phenyl)-(2-ethylbenzofuran-3-yl)methanone; 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
  • (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-3-benzofuranyl)methanone; 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
  • (3,5-dibromo-4-hydroxy-phenyl)-(2-ethyl-1-benzofuran-3-yl)methanone; 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
  • 89247-62-1
  • 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-, mixt. with (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone

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
Brugia malayi Ets-domain containing protein 0.0071 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0038 0.0477 0.0477
Brugia malayi beta-lactamase 0.0038 0.0477 0.0477
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.2586 0.6123
Schistosoma mansoni hypothetical protein 0.0071 0.1156 0.2737
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0919 0.2022
Schistosoma mansoni spingomyelin synthetase-related 0.0026 0.0205 0.0486
Loa Loa (eye worm) hypothetical protein 0.0061 0.0949 0.0949
Onchocerca volvulus 0.0038 0.0477 0.5824
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0919 0.2022
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0026 0.0205 0.4244
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0477 0.9869
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0026 0.0205 0.0205
Loa Loa (eye worm) beta-lactamase 0.0038 0.0477 0.0477
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0484 0.0015
Plasmodium vivax sphingomyelin synthase 2, putative 0.0026 0.0205 0.4244
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0026 0.0205 0.0452
Entamoeba histolytica hypothetical protein 0.0038 0.0469 0.947
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0026 0.0205 0.4244
Toxoplasma gondii hypothetical protein 0.0026 0.0205 0.4244
Onchocerca volvulus 0.0038 0.0477 0.5824
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0355 0.0783
Schistosoma mansoni gabp alpha 0.0071 0.1167 0.2763
Loa Loa (eye worm) hypothetical protein 0.0026 0.0205 0.0205
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0355 0.0355
Schistosoma mansoni hypothetical protein 0.0033 0.0355 0.0842
Echinococcus granulosus GPCR family 2 0.0033 0.0355 0.0783
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0026 0.0205 0.4244
Echinococcus granulosus lamin dm0 0.0026 0.0222 0.0489
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0477 0.9869
Trichomonas vaginalis esterase, putative 0.0038 0.0477 0.9772
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0477 0.9772
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0477 0.9772
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.2586 0.5693
Loa Loa (eye worm) hypothetical protein 0.0026 0.0212 0.0212
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0489 1 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0222 0.0489
Brugia malayi hypothetical protein 0.0038 0.0469 0.0469
Loa Loa (eye worm) hypothetical protein 0.0038 0.0477 0.0477
Schistosoma mansoni hypothetical protein 0.0033 0.0355 0.0842
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.2586 0.2586
Loa Loa (eye worm) hypothetical protein 0.0231 0.4542 0.4542
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0919 0.2022
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0469 0.1111
Schistosoma mansoni hypothetical protein 0.0047 0.0661 0.1564
Entamoeba histolytica hypothetical protein 0.0038 0.0469 0.947
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0484 1
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0484 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.4542 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.2586 0.2586
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0484 0.0484
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0477 0.9869
Trypanosoma brucei inositol phosphorylceramide synthase 0.0026 0.0205 0.4244
Loa Loa (eye worm) hypothetical protein 0.0026 0.0205 0.0205
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0355 0.0783
Loa Loa (eye worm) hypothetical protein 0.0071 0.1156 0.1156
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0355 0.0355
Schistosoma mansoni survival motor neuron protein 0.0047 0.0661 0.1564
Leishmania major hypothetical protein, conserved 0.0038 0.0477 0.9869
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.1167 0.1167
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0484 1
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0026 0.0205 0.0205
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0355 0.0783
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0484 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.485 1
Brugia malayi Fli-1 protein 0.0216 0.4223 0.4223
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.4542 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.2586 0.6123
Toxoplasma gondii exonuclease III APE 0.0039 0.0484 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0484 1
Entamoeba histolytica hypothetical protein 0.0038 0.0469 0.947
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0484 0.0484
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0026 0.0205 0.0205
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0919 0.2175
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0026 0.0205 0.0205
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.1845 0.1845
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0919 0.2022
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0477 0.9772
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0661 0.0661
Schistosoma mansoni hypothetical protein 0.0186 0.3599 0.8524
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0484 1
Brugia malayi beta-lactamase family protein 0.0038 0.0477 0.0477
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0026 0.0205 0.4244
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0477 0.9869
Toxoplasma gondii ABC1 family protein 0.0038 0.0477 0.9869
Loa Loa (eye worm) hypothetical protein 0.0038 0.0477 0.0477
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.1167 0.2569
Schistosoma mansoni ap endonuclease 0.0039 0.0484 0.1146
Schistosoma mansoni hypothetical protein 0.0033 0.0355 0.0842
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0484 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1156 0.1156
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0477 0.0477
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.1167 0.2569
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0026 0.0205 0.4244
Loa Loa (eye worm) hypothetical protein 0.0033 0.0355 0.0355
Brugia malayi jmjC domain containing protein 0.0059 0.0919 0.0919
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0026 0.0205 0.4244
Echinococcus multilocularis lamin dm0 0.0026 0.0222 0.0489
Loa Loa (eye worm) hypothetical protein 0.0038 0.0477 0.0477
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0484 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0484 1
Onchocerca volvulus 0.0047 0.0661 1
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0919 0.2175
Schistosoma mansoni hypothetical protein 0.0038 0.0469 0.1111
Schistosoma mansoni hypothetical protein 0.0033 0.0355 0.0842
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0477 0.1051
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0484 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.2586 0.5693
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0477 0.1131
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0026 0.0205 0.4244
Schistosoma mansoni ap endonuclease 0.0039 0.0484 0.1146
Brugia malayi intermediate filament protein 0.0026 0.0222 0.0222
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0919 0.2175
Echinococcus granulosus sphingomyelin synthase protein 1 0.0026 0.0205 0.0452
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0222 0.0222
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.1845 0.1845
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.2586 0.6123
Brugia malayi beta-lactamase family protein 0.0038 0.0477 0.0477
Loa Loa (eye worm) hypothetical protein 0.0103 0.1845 0.1845
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0484 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0222 0.0222
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0222 0.0222
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0026 0.0205 0.4244
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0222 0.0222
Entamoeba histolytica hypothetical protein 0.0038 0.0469 0.947
Schistosoma mansoni intermediate filament proteins 0.0026 0.0222 0.0526
Loa Loa (eye worm) fli-1 protein 0.0216 0.4223 0.4223
Echinococcus granulosus lamin 0.0026 0.0222 0.0489
Echinococcus multilocularis musashi 0.0026 0.0222 0.0489
Loa Loa (eye worm) hypothetical protein 0.0026 0.0205 0.0205
Brugia malayi Sphingomyelin synthase-related 1 0.0026 0.0205 0.0205
Echinococcus multilocularis lamin 0.0026 0.0222 0.0489
Schistosoma mansoni ets-related 0.0216 0.4223 1
Brugia malayi jmjC domain containing protein 0.0059 0.0919 0.0919
Loa Loa (eye worm) hypothetical protein 0.0026 0.0205 0.0205
Schistosoma mansoni hypothetical protein 0.0186 0.3599 0.8524
Plasmodium vivax sphingomyelin synthase 1, putative 0.0026 0.0205 0.4244
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0484 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0484 0.1065
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0477 0.0477
Loa Loa (eye worm) hypothetical protein 0.0038 0.0477 0.0477
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0469 0.1033
Loa Loa (eye worm) hypothetical protein 0.0026 0.0205 0.0205
Echinococcus granulosus geminin 0.0186 0.3599 0.7925
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.1845 0.1845
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0477 0.9772
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.2586 0.5693
Onchocerca volvulus 0.0038 0.0477 0.5824
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.2586 0.5693
Mycobacterium leprae Probable lipase LipE 0.0038 0.0477 0.5
Schistosoma mansoni lamin 0.0026 0.0222 0.0526
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0026 0.0205 0.4244
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0477 0.1131
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0355 0.0783
Brugia malayi Ets-domain containing protein 0.0071 0.1167 0.1167
Echinococcus multilocularis geminin 0.0186 0.3599 0.7925
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0477 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0484 0.1065
Brugia malayi hypothetical protein 0.0231 0.4542 0.4542
Echinococcus multilocularis GPCR, family 2 0.0033 0.0355 0.0783
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0477 0.9772
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0919 0.0919
Schistosoma mansoni lamin 0.0026 0.0222 0.0526
Loa Loa (eye worm) hypothetical protein 0.0038 0.0477 0.0477
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0477 0.1051
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0469 0.1033
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0484 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.