Detailed information for compound 1271182

Basic information

Technical information
  • TDR Targets ID: 1271182
  • Name: T5313001
  • MW: 349.423 | Formula: C17H20FN3O2S
  • H donors: 0 H acceptors: 3 LogP: 2.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cn1)S(=O)(=O)N1CCCC1)Cc1ccccc1F
  • InChi: 1S/C17H20FN3O2S/c1-20(13-14-6-2-3-7-16(14)18)17-9-8-15(12-19-17)24(22,23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3
  • InChiKey: MMBNLRHWZYQOST-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000760170
  • SMR000368604

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
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
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0328 0.025
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0126 0.292
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0126 0.0047
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0126 0.0047
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0128 0.2957
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0431 1
Echinococcus granulosus serine protein kinase ATM 0.003 0.0431 0.0355
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0933 0.086
Loa Loa (eye worm) hypothetical protein 0.0085 0.2506 0.2446
Echinococcus multilocularis zinc finger protein 0.0024 0.0193 0.0115
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0274 0.6353
Onchocerca volvulus 0.0058 0.1489 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0126 0.9876
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0079 0.0366
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0107 0.0028
Schistosoma mansoni survival motor neuron protein 0.0058 0.1489 0.6864
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Schistosoma mansoni zinc finger protein 0.0024 0.0193 0.0891
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0128 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0126 0.0581
Loa Loa (eye worm) hypothetical protein 0.0052 0.1237 0.1166
Loa Loa (eye worm) hypothetical protein 0.0046 0.1043 0.0972
Toxoplasma gondii FATC domain-containing protein 0.003 0.0431 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0126 0.9876
Schistosoma mansoni bromodomain containing protein 0.0076 0.2169 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0126 0.292
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0126 0.9876
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0126 0.292
Loa Loa (eye worm) hypothetical protein 0.0049 0.115 0.1079
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0126 0.0047
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Entamoeba histolytica hypothetical protein 0.003 0.0431 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2008 0.1944
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0431 0.1989
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1489 0.138
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0431 0.0309
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0431 0.0355
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0126 0.0581
Loa Loa (eye worm) hypothetical protein 0.0026 0.0274 0.0196
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0933 0.086
Brugia malayi Bromodomain containing protein 0.0046 0.104 0.0926
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0126 0.9876
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0079 0.0366
Giardia lamblia GTOR 0.0022 0.0126 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0431 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0328 0.025
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0126 0.292
Brugia malayi PHD-finger family protein 0.003 0.0435 0.0313
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0126 0.292
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0126 0.9876
Echinococcus granulosus zinc finger protein 0.0024 0.0193 0.0115
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0241 0.0163
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0126 0.292
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0126 0.292
Schistosoma mansoni hypothetical protein 0.0058 0.1489 0.6864
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0126 0.0047
Brugia malayi Bromodomain containing protein 0.0091 0.2699 0.2606
Schistosoma mansoni hypothetical protein 0.0025 0.0241 0.1112
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0126 0.292
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0079 0.0366
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0431 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0126 0.0047
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0079 0.0366
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0126 0.0047
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0126 0.292
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0126 0.292
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2008 0.1944
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0328 0.151

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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