Detailed information for compound 770009

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.323 | Formula: C24H19BrN2O3
  • H donors: 1 H acceptors: 4 LogP: 4.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)C1N(Cc2cccnc2)C(=O)C(=C1C(=O)c1ccc(cc1)C)O
  • InChi: 1S/C24H19BrN2O3/c1-15-7-9-17(10-8-15)22(28)20-21(18-5-2-6-19(25)12-18)27(24(30)23(20)29)14-16-4-3-11-26-13-16/h2-13,21,29H,14H2,1H3
  • InChiKey: JWQRTMJGIJYHAC-UHFFFAOYSA-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
Schistosoma mansoni ap endonuclease 0.0018 0.0108 0.0239
Brugia malayi Bromodomain containing protein 0.0084 0.5595 0.5547
Brugia malayi Bromodomain containing protein 0.0043 0.2156 0.207
Schistosoma mansoni hypothetical protein 0.0023 0.05 0.1112
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0164 0.0137
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.4254 0.9461
Schistosoma mansoni tar DNA-binding protein 0.0068 0.4254 0.9461
Brugia malayi RNA binding protein 0.0068 0.4254 0.4192
Loa Loa (eye worm) hypothetical protein 0.0079 0.5194 0.5142
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0108 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.4254 0.4192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0164 0.0366
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.4161 0.9775
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0164 0.0137
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0108 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0164 0.0057
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0108 0.5
Loa Loa (eye worm) RNA binding protein 0.0068 0.4254 0.4192
Schistosoma mansoni ap endonuclease 0.0018 0.0108 0.0239
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0108 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0108 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0164 0.0137
Brugia malayi TAR-binding protein 0.0068 0.4254 0.4192
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0164 0.0137
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0222 0.0115
Loa Loa (eye worm) TAR-binding protein 0.0068 0.4254 0.4192
Echinococcus granulosus zinc finger protein 0.0022 0.0401 0.0707
Schistosoma mansoni tar DNA-binding protein 0.0068 0.4254 0.9461
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0679 0.151
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.1934 0.4404
Echinococcus multilocularis zinc finger protein 0.0022 0.0401 0.0707
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0108 0.5
Toxoplasma gondii exonuclease III APE 0.0018 0.0108 0.5
Echinococcus granulosus tar DNA binding protein 0.0068 0.4254 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0108 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0164 0.0366
Schistosoma mansoni tar DNA-binding protein 0.0068 0.4254 0.9461
Loa Loa (eye worm) hypothetical protein 0.0043 0.2162 0.2077
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.4254 0.4192
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0108 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0679 0.1378
Schistosoma mansoni bromodomain containing protein 0.0071 0.4497 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0108 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.4161 0.9775
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0164 0.0366
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0108 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.2563 0.2482
Echinococcus multilocularis tar DNA binding protein 0.0068 0.4254 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.1934 0.4404
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.05 0.0397
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0164 0.0366
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0108 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.4254 0.9461
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0108 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2384 0.2301
Schistosoma mansoni zinc finger protein 0.0022 0.0401 0.0891
Brugia malayi PHD-finger family protein 0.0028 0.0901 0.0802
Loa Loa (eye worm) transcription factor SMAD2 0.0137 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0108 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0108 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0679 0.1378

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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