Detailed information for compound 719376

Basic information

Technical information
  • TDR Targets ID: 719376
  • Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1 -(4-fluorophenyl)pyrrolidine-2,5-dione
  • MW: 409.477 | Formula: C22H20FN3O2S
  • H donors: 0 H acceptors: 3 LogP: 3.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1C(=O)CC(C1=O)N1CCC(CC1)c1nc2c(s1)cccc2
  • InChi: 1S/C22H20FN3O2S/c23-15-5-7-16(8-6-15)26-20(27)13-18(22(26)28)25-11-9-14(10-12-25)21-24-17-3-1-2-4-19(17)29-21/h1-8,14,18H,9-13H2
  • InChiKey: AWFJIZUVENTZOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
  • 3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
  • 3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-(4-fluorophenyl)pyrrolidine-2,5-quinone
  • BAS 07330493
  • A3341/0141954

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 PAB1-binding protein , putative 0.0049 0.0013 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.0105 1
Echinococcus granulosus geminin 0.0167 0.0067 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0019 0.2864
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0016 0.0416
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0013 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0019 0.2864
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0016 0.2328
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 2.2146 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.0105 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0846 0.0374 1
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0013 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0013 0.1254
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.0105 1
Brugia malayi RNA binding protein 0.0062 0.0019 0.1823
Brugia malayi TAR-binding protein 0.0062 0.0019 0.1823
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0013 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0007 0.1114
Mycobacterium ulcerans 3-dehydroquinate dehydratase 2.2146 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0044 0.4166
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0013 0.1254
Brugia malayi MH2 domain containing protein 0.0116 0.0044 0.4166
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Loa Loa (eye worm) hypothetical protein 0.0049 0.0013 0.128
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0001 0.003
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Loa Loa (eye worm) hypothetical protein 0.0049 0.0013 0.1254
Echinococcus multilocularis geminin 0.0167 0.0067 0.1786
Echinococcus granulosus tar DNA binding protein 0.0062 0.0019 0.2864
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.0066 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0019 0.0511
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.007 0.6397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0016 0.2328
Schistosoma mansoni inositol monophosphatase 0.0036 0.0007 0.1114
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0016 0.1482
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0007 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0013 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0019 0.1823
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0019 0.2864
Loa Loa (eye worm) inositol-1 0.0036 0.0007 0.0709
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.0105 1
Brugia malayi Inositol-1 0.0036 0.0007 0.0709
Schistosoma mansoni inositol monophosphatase 0.0036 0.0007 0.1114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0016 0.0416
Schistosoma mansoni hypothetical protein 0.0167 0.0067 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.0105 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0016 0.2328
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.0105 1
Brugia malayi hypothetical protein 0.0032 0.0006 0.0525
Brugia malayi hypothetical protein 0.0049 0.0013 0.128
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0588
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0006 0.0588
Schistosoma mansoni hypothetical protein 0.0033 0.0006 0.0924
Loa Loa (eye worm) RNA binding protein 0.0062 0.0019 0.1823
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0001 0.0166
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0019 0.1823
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0007 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0019 0.2864
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0013 1
Schistosoma mansoni hypothetical protein 0.0022 0.0001 0.0166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0016 0.2328
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0019 0.1823
Schistosoma mansoni hypothetical protein 0.0167 0.0067 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0044 0.4166
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0007 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0016 0.2328
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0019 0.2864
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.0105 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0013 0.1254
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0016 0.1482
Leishmania major hypothetical protein, conserved 0.0049 0.0013 1
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.007 0.6397
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.0066 0.5985
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0013 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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