Detailed information for compound 794009

Basic information

Technical information
  • TDR Targets ID: 794009
  • Name: 3-(4-bromophenyl)-2-(1,3-thiazol-2-yl)-5,6,7, 7a-tetrahydro-3H-pyrrolo[2,1-e]imidazol-1-one
  • MW: 364.26 | Formula: C15H14BrN3OS
  • H donors: 0 H acceptors: 2 LogP: 3.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C1N(c2nccs2)C(=O)C2N1CCC2
  • InChi: 1S/C15H14BrN3OS/c16-11-5-3-10(4-6-11)13-18-8-1-2-12(18)14(20)19(13)15-17-7-9-21-15/h3-7,9,12-13H,1-2,8H2
  • InChiKey: IOACIZLLFMRRQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-bromophenyl)-2-thiazol-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[2,1-e]imidazol-1-one
  • 3-(4-bromophenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[2,1-e]imidazol-1-one

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 hypothetical protein 0.0038 0.0848 0.3914
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1559 0.1772
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0327 0.1541
Brugia malayi Bromodomain containing protein 0.0083 0.2694 0.3079
Brugia malayi PHD-finger family protein 0.0028 0.0434 0.0475
Loa Loa (eye worm) hypothetical protein 0.0047 0.1234 0.1397
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0158 0.5
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0079 0.0291
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0327 0.151
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0158 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0099
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0158 0.0691
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0079 0.0366
Schistosoma mansoni ap endonuclease 0.0021 0.0158 0.0731
Schistosoma mansoni zinc finger protein 0.0022 0.0193 0.0891
Brugia malayi Bromodomain containing protein 0.0043 0.1038 0.1171
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.2004 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0158 0.0158
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1374 0.6345
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0931 0.4589
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0657 0.3205
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0657 0.3033
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0158 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1374 0.6822
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0158 1
Trichomonas vaginalis set domain proteins, putative 0.0263 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0848 0.0952
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0241 0.0253
Plasmodium vivax SET domain protein, putative 0.0033 0.0657 1
Echinococcus granulosus zinc finger protein 0.0022 0.0193 0.0866
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0158 0.5
Schistosoma mansoni bromodomain containing protein 0.007 0.2165 1
Echinococcus multilocularis zinc finger protein 0.0022 0.0193 0.0866
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0079 0.0291
Loa Loa (eye worm) hypothetical protein 0.0052 0.1426 0.1618
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0158 1
Brugia malayi Pre-SET motif family protein 0.0231 0.8702 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1148 0.1298
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1559 0.1772
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1374 0.6822
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.2004 1
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1374 0.6345
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0158 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1374 0.6822
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0931 0.4589
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.1426 0.7087
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.1426 0.6587
Schistosoma mansoni hypothetical protein 0.0023 0.0241 0.1112
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0158 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0327 0.1541
Loa Loa (eye worm) hypothetical protein 0.0043 0.1041 0.1175
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0158 0.0158
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0158 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0158 0.0691
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1374 0.1558
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1374 0.1558
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1374 0.6345
Loa Loa (eye worm) hypothetical protein 0.0079 0.2501 0.2857
Brugia malayi Pre-SET motif family protein 0.0033 0.0657 0.0732
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0607 0.2955
Loa Loa (eye worm) hypothetical protein 0.0055 0.1559 0.1772
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0848 0.0952
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0107 0.0098
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1559 0.1772
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.8702 1
Schistosoma mansoni ap endonuclease 0.0021 0.0158 0.0731
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0079 0.0366
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0158 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0657 0.3033
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0158 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.1426 0.6587
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.1426 0.7087
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0657 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1374 0.6822

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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