Detailed information for compound 990758

Basic information

Technical information
  • TDR Targets ID: 990758
  • Name: N-[2-[1-(4-bromophenyl)-4-oxo-1,3,8-triazaspi ro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
  • MW: 475.354 | Formula: C22H24BrFN4O2
  • H donors: 2 H acceptors: 2 LogP: 3.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)C(=O)NCN2c1ccc(cc1)Br
  • InChi: 1S/C22H24BrFN4O2/c23-17-3-7-19(8-4-17)28-15-26-21(30)22(28)9-12-27(13-10-22)14-11-25-20(29)16-1-5-18(24)6-2-16/h1-8H,9-15H2,(H,25,29)(H,26,30)
  • InChiKey: OJLDCECJEYKULS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[1-(4-bromophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluoro-benzamide
  • N-[2-[1-(4-bromophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluoro-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase D2 Starlite/ChEMBL References
Homo sapiens phospholipase D1, phosphatidylcholine-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum ko:K01115 phospholipase D [EC3.1.4.4], putative Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus granulosus phospholipase D1 Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Candida albicans Phospholipase D:required for commitment to meiosis Get druggable targets OG5_128363 All targets in OG5_128363
Entamoeba histolytica phospholipase D, putative Get druggable targets OG5_128363 All targets in OG5_128363
Entamoeba histolytica phospholipase D, putative Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum Phospholipase D1, putative Get druggable targets OG5_128363 All targets in OG5_128363
Entamoeba histolytica phospholipase D active site domain-containing protein Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma mansoni phospholipase D Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus multilocularis phospholipase D1 Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus granulosus phospholipase D Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum ko:K01115 phospholipase D [EC3.1.4.4], putative Get druggable targets OG5_128363 All targets in OG5_128363
Candida albicans Phospholipase D:required for commitment to meiosis Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum expressed protein Get druggable targets OG5_128363 All targets in OG5_128363
Brugia malayi Phospholipase d protein 1 Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus multilocularis phospholipase D Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
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
Chlamydia trachomatis phospholipase D endonuclease family protein 0.002 0.0619 0.5
Chlamydia trachomatis phospholipase D endonuclease family protein 0.002 0.0619 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1726 0.1726
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0475 0.0475
Schistosoma mansoni hypothetical protein 0.0017 0.0474 0.0474
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0474 0.0474
Chlamydia trachomatis phospholipase D endonuclease family protein 0.002 0.0619 0.5
Trypanosoma brucei phosphatidylglycerolphosphate synthase, mitochondrial 0.002 0.0619 0.0592
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1608 0.2332
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.0445
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1726 0.1726
Schistosoma mansoni hypothetical protein 0.0186 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0474 0.0474
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0692 0.0445
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0692 0.1004
Schistosoma mansoni kinase 0.0053 0.2472 0.2472
Brugia malayi MH2 domain containing protein 0.0131 0.6896 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Plasmodium vivax phosphatidylglycerophosphate synthase, putative 0.002 0.0619 1
Trypanosoma brucei cardiolipin synthetase, putative 0.0043 0.1942 0.3223
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.6896 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.5351 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0692 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Schistosoma mansoni hypothetical protein 0.0039 0.1726 0.1726
Loa Loa (eye worm) hypothetical protein 0.0081 0.4064 0.5892
Echinococcus granulosus dna polymerase eta 0.0021 0.0692 0.0692
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.5351 0.5351
Loa Loa (eye worm) hypothetical protein 0.0055 0.2586 0.375
Schistosoma mansoni CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase 0.002 0.0619 0.0619
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.5351 1
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0475 0.0689
Trypanosoma cruzi cardiolipin synthetase, putative 0.0043 0.1942 0.3008
Loa Loa (eye worm) hypothetical protein 0.0021 0.0692 0.1004
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0692 0.0692
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0474 0.0687
Entamoeba histolytica hypothetical protein 0.0039 0.1726 0.1777
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0475 0.0307
Echinococcus multilocularis GPCR, family 2 0.0017 0.0474 0.0474
Chlamydia trachomatis phospholipase D superfamily protein 0.002 0.0619 0.5
Leishmania major cardiolipin synthetase, putative 0.002 0.0619 0.0295
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1726 0.1726
Loa Loa (eye worm) hypothetical protein 0.0037 0.1608 0.2332
Loa Loa (eye worm) hypothetical protein 0.002 0.0619 0.0897
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Brugia malayi Phospholipase d protein 1 0.0124 0.651 0.9439
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0692 0.0738
Schistosoma mansoni phospholipase D 0.0124 0.651 0.651
Giardia lamblia Kinase, PLK 0.0104 0.5351 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0692 0.0692
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.2394 0.3654
Entamoeba histolytica hypothetical protein 0.0039 0.1726 0.1777
Brugia malayi Phospholipase D. Active site motif family protein 0.0023 0.0819 0.1187
Echinococcus granulosus phospholipase D1 0.0124 0.651 0.651
Plasmodium falciparum phosphatidylglycerophosphate synthase 0.002 0.0619 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.0445
Plasmodium falciparum mitochondrial cardiolipin synthase, putative 0.002 0.0619 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0692 0.0692
Trypanosoma brucei unspecified product 0.0021 0.0692 0.0738
Entamoeba histolytica phospholipase D, putative 0.0124 0.651 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0475 0.0475
Brugia malayi hypothetical protein 0.002 0.0619 0.0897
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0692 0.1004
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0475 0.0475
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Wolbachia endosymbiont of Brugia malayi cardiolipin synthase 0.002 0.0619 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0692 1
Trypanosoma cruzi cardiolipin synthetase, putative 0.0043 0.1942 0.3008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0474 0.0474
Leishmania major phosphatidylglycerophosphate synthase, putative 0.0023 0.0819 0.0705
Leishmania major DNA polymerase eta, putative 0.0021 0.0692 0.0445
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0043 0.1942 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.2586 0.375
Echinococcus granulosus GPCR family 2 0.0017 0.0474 0.0474
Echinococcus granulosus phospholipase D 0.011 0.5691 0.5691
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0692 0.0738
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0692 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.5387 0.7811
Entamoeba histolytica hypothetical protein 0.0039 0.1726 0.1777
Entamoeba histolytica phospholipase D, putative 0.0124 0.651 1
Plasmodium vivax cardiolipin synthetase, putative 0.002 0.0619 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0474 0.0687
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0692 0.1004
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0474 0.0474
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.5351 0.776
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0692 0.0692
Schistosoma mansoni hypothetical protein 0.0017 0.0474 0.0474
Echinococcus multilocularis phospholipase D 0.011 0.5691 0.5691
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.2394 0.3654
Loa Loa (eye worm) hypothetical protein 0.0023 0.0819 0.1187
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.6896 1
Loa Loa (eye worm) phospholipase D 0.0023 0.0819 0.1187
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0475 0.0689
Chlamydia trachomatis phospholipase D endonuclease family protein 0.002 0.0619 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0692 0.0738
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.5351 1
Echinococcus granulosus phospholipase d3 0.0023 0.0819 0.0819
Echinococcus multilocularis dna polymerase eta 0.0021 0.0692 0.0692
Schistosoma mansoni hypothetical protein 0.0037 0.1608 0.1608
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.5351 0.776
Loa Loa (eye worm) hypothetical protein 0.0081 0.4064 0.5892
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0692 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.5351 0.5351
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.0445
Chlamydia trachomatis phospholipase D superfamily protein 0.002 0.0619 0.5
Schistosoma mansoni DNA polymerase eta 0.0021 0.0692 0.0692
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0692 0.0738
Brugia malayi Phospholipase D. Active site motif family protein 0.0043 0.1942 0.2816
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0474 0.0687
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.2586 0.375
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0475 0.0307
Echinococcus multilocularis geminin 0.0186 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.5351 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0475 0.0475
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0692 0.0445
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.5351 0.8009
Trypanosoma brucei polo-like protein kinase 0.0104 0.5351 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Schistosoma mansoni hypothetical protein 0.0186 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.1726 0.1777
Loa Loa (eye worm) hypothetical protein 0.0017 0.0474 0.0687
Loa Loa (eye worm) hypothetical protein 0.0104 0.5387 0.7811
Echinococcus multilocularis phospholipase D1 0.0124 0.651 0.651
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0692 0.0738
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0692 0.0692
Trypanosoma brucei cardiolipin synthetase 0.0043 0.1942 0.3223
Schistosoma mansoni hypothetical protein 0.0017 0.0474 0.0474
Brugia malayi Protein K4 0.002 0.0619 0.0897
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.2586 0.375
Brugia malayi isocitrate dehydrogenase 0.0017 0.0475 0.0689
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0692 0.0445
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0475 0.0475
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0475 0.0475
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.5351 0.5351
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.5351 1
Brugia malayi hypothetical protein 0.0039 0.1726 0.2503
Echinococcus multilocularis phospholipase d3 0.0023 0.0819 0.0819
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0692 0.0692
Leishmania major DNA polymerase kappa, putative 0.0021 0.0692 0.0445
Entamoeba histolytica phospholipase D active site domain-containing protein 0.0104 0.5387 0.807
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0474 0.0474
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0475 0.0475

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8000 nM Inhibition of human GST-tagged PLD2A in human HEK293 cells ChEMBL. 20735042
IC50 (binding) = 10000 nM Inhibition of PLD1 in human calu1 cells ChEMBL. 20735042

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

1 literature reference was collected for this gene.

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