Detailed information for compound 655673

Basic information

Technical information
  • TDR Targets ID: 655673
  • Name: Oprea1_066525
  • MW: 358.277 | Formula: C12H12BrN3OS2
  • H donors: 1 H acceptors: 3 LogP: 3.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Br)CCSc1nnc(s1)C
  • InChi: 1S/C12H12BrN3OS2/c1-8-15-16-12(19-8)18-7-6-11(17)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)
  • InChiKey: FFITUUPMDIBAKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STK212099
  • Oprea1_259076
  • ZINC02500436

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
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0053 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0447 0.1522
Trypanosoma brucei squalene monooxygenase, putative 0.0391 0.4491 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0294 0.9539
Mycobacterium tuberculosis Conserved protein 0.0038 0.0294 0.0149
Echinococcus multilocularis geminin 0.0179 0.1966 0.1961
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0471 0.0942
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0294 0.0544
Schistosoma mansoni inositol monophosphatase 0.0039 0.0306 0.1322
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0294 0.1261
Brugia malayi Cathepsin L-like precursor 0.0018 0.0053 0.0103
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0294 0.9539
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Loa Loa (eye worm) fibroinase 0.0018 0.0053 0.0189
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0053 0.0083
Leishmania major cathepsin L-like protease 0.0067 0.0642 0.1328
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.1049
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0053 0.0189
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0294 0.0288
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0024 0.0086
Trichomonas vaginalis esterase, putative 0.0038 0.0294 0.9539
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0294 0.1259
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0642 0.1328
Loa Loa (eye worm) hypothetical protein 0.0018 0.0053 0.0189
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0294 0.0288
Mycobacterium leprae Probable lipase LipE 0.0038 0.0294 1
Loa Loa (eye worm) cysteine protease 0.0018 0.0053 0.0189
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.1049
Onchocerca volvulus 0.0028 0.0181 0.0967
Loa Loa (eye worm) hypothetical protein 0.0028 0.0175 0.0623
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0294 0.0544
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0294 0.1049
Brugia malayi Cathepsin L-like precursor 0.0018 0.0053 0.0103
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0306 0.0532
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0294 1
Schistosoma mansoni hypothetical protein 0.0179 0.1966 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0181 0.0645
Brugia malayi hypothetical protein 0.0038 0.0294 0.097
Schistosoma mansoni hypothetical protein 0.0051 0.0447 0.2062
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0294 0.0149
Schistosoma mansoni lamin 0.0028 0.0181 0.0669
Loa Loa (eye worm) hypothetical protein 0.0129 0.1378 0.4911
Mycobacterium tuberculosis Conserved protein 0.0038 0.0294 0.0149
Schistosoma mansoni hypothetical protein 0.0179 0.1966 1
Entamoeba histolytica hypothetical protein 0.0038 0.0294 0.9526
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0306 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0294 0.0149
Brugia malayi hypothetical protein 0.0249 0.2805 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0294 0.0149
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0294 0.9539
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0053 0.0083
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0294 0.0511
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0306 1
Loa Loa (eye worm) ctsf protein 0.0018 0.0053 0.0189
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.1049
Echinococcus multilocularis cysteine protease 0.0018 0.0053 0.0047
Brugia malayi beta-lactamase family protein 0.0038 0.0294 0.0971
Brugia malayi beta-lactamase family protein 0.0038 0.0294 0.0971
Echinococcus granulosus intermediate filament protein 0.0028 0.0181 0.031
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.2805 0.4972
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0294 0.9539
Brugia malayi Cathepsin L-like precursor 0.0018 0.0053 0.0103
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.1049
Loa Loa (eye worm) hypothetical protein 0.0014 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.0129 0.1378 0.4911
Schistosoma mansoni inositol monophosphatase 0.0039 0.0306 0.1322
Onchocerca volvulus 0.0038 0.0294 0.1821
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0053 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0294 0.1259
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Echinococcus multilocularis musashi 0.0028 0.0181 0.0175
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0053 0.0103
Leishmania major hypothetical protein, conserved 0.0038 0.0294 0.0544
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0294 0.0512
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.1049
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.2724 1
Onchocerca volvulus 0.0028 0.0181 0.0967
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0294 0.0149
Onchocerca volvulus Huntingtin homolog 0.0129 0.1378 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0053 0.0047
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0053 0.0047
Onchocerca volvulus 0.0051 0.0447 0.2977
Echinococcus multilocularis lamin dm0 0.0028 0.0181 0.0175
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0294 1
Echinococcus granulosus lamin 0.0028 0.0181 0.031
Schistosoma mansoni survival motor neuron protein 0.0051 0.0447 0.2062
Loa Loa (eye worm) beta-lactamase 0.0038 0.0294 0.1049
Loa Loa (eye worm) hypothetical protein 0.0158 0.1714 0.6111
Echinococcus multilocularis cysteine protease 0.0018 0.0053 0.0047
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0294 0.0149
Brugia malayi Muscleblind-like protein 0.0158 0.1714 0.6077
Brugia malayi hypothetical protein 0.0129 0.1378 0.4867
Loa Loa (eye worm) hypothetical protein 0.0249 0.2805 1
Brugia malayi intermediate filament protein 0.0028 0.0181 0.0564
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0306 1
Entamoeba histolytica hypothetical protein 0.0038 0.0294 0.9526
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0294 0.0149
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0642 0.1328
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Leishmania major squalene monooxygenase-like protein 0.0391 0.4491 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Onchocerca volvulus Huntingtin homolog 0.0129 0.1378 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0294 0.0149
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.0642 0.1328
Echinococcus granulosus neuropeptide receptor A26 0.0488 0.5635 1
Onchocerca volvulus 0.0038 0.0294 0.1821
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Brugia malayi Cathepsin L-like precursor 0.0018 0.0053 0.0103
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0306 0.03
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0053 0.0047
Brugia malayi beta-lactamase 0.0038 0.0294 0.0971
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0306 1
Echinococcus multilocularis neuropeptide receptor A26 0.0488 0.5635 0.5633
Echinococcus granulosus neuropeptide s receptor 0.0488 0.5635 1
Trypanosoma cruzi squalene monooxygenase, putative 0.0391 0.4491 1
Echinococcus granulosus geminin 0.0179 0.1966 0.3481
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.2805 0.2801
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0294 0.1261
Entamoeba histolytica hypothetical protein 0.0038 0.0294 0.9526
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0181 0.0645
Loa Loa (eye worm) hypothetical protein 0.0028 0.0181 0.0645
Brugia malayi Cathepsin L-like precursor 0.0018 0.0053 0.0103
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0181 0.0564
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0306 0.057
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.1049
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0642 0.1328
Schistosoma mansoni lamin 0.0028 0.0181 0.0669
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0294 0.0971
Onchocerca volvulus 0.0038 0.0294 0.1821
Toxoplasma gondii ABC1 family protein 0.0038 0.0294 0.9539
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Entamoeba histolytica hypothetical protein 0.0038 0.0294 0.9526
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0294 0.9539
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0294 0.0149
Leishmania major cathepsin L-like protease 0.0067 0.0642 0.1328
Loa Loa (eye worm) hypothetical protein 0.0158 0.1714 0.6111
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0053 0.0047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Echinococcus multilocularis muscleblind protein 1 0.0158 0.1714 0.1709
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.0573 0.1172
Brugia malayi Inositol-1 0.0039 0.0306 0.1013
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0306 0.057
Brugia malayi Cathepsin L-like precursor 0.0018 0.0053 0.0103
Leishmania major cathepsin L-like protease 0.0067 0.0642 0.1328
Echinococcus multilocularis muscleblind protein 0.0158 0.1714 0.1709
Echinococcus granulosus muscleblind protein 0.0158 0.1714 0.3034
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0306 0.0028
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0642 0.0829
Echinococcus multilocularis neuropeptide s receptor 0.0488 0.5635 0.5633
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0053 0.5
Loa Loa (eye worm) inositol-1 0.0039 0.0306 0.109
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0053 0.0189
Echinococcus granulosus cathepsin l1 0.0018 0.0053 0.0083
Trypanosoma cruzi squalene monooxygenase, putative 0.0391 0.4491 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0181 0.0669
Echinococcus granulosus lamin dm0 0.0028 0.0181 0.031
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0306 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0306 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0306 0.057
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0306 0.5
Echinococcus multilocularis lamin 0.0028 0.0181 0.0175

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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