Detailed information for compound 1285409

Basic information

Technical information
  • TDR Targets ID: 1285409
  • Name: 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thia diazol-2-yl]-5-oxopyrrolidine-3-carboxamide
  • MW: 324.399 | Formula: C14H20N4O3S
  • H donors: 1 H acceptors: 4 LogP: 0 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nnc(s1)NC(=O)C1CC(=O)N(C1)C1CCCC1
  • InChi: 1S/C14H20N4O3S/c1-21-8-11-16-17-14(22-11)15-13(20)9-6-12(19)18(7-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,17,20)
  • InChiKey: XTRPJXMDZNKFGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-pyrrolidine-3-carboxamide
  • 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-3-pyrrolidinecarboxamide
  • 1-cyclopentyl-5-keto-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
  • ASN 13780275
  • STK237749

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH1 domain containing protein 0.0005 0.0102 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2278 0.0884
Loa Loa (eye worm) hypothetical protein 0.0028 0.1737 0.1714
Brugia malayi MH2 domain containing protein 0.001 0.0415 0.0389
Brugia malayi Smad1 0.001 0.0415 0.0389
Brugia malayi MH2 domain containing protein 0.001 0.0415 0.0389
Schistosoma mansoni smad1 5 8 and 0.001 0.0415 0.0528
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0331 0.0304
Brugia malayi MH1 domain containing protein 0.001 0.0415 0.0389
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0415 0.0389
Schistosoma mansoni cpg binding protein 0.003 0.1821 0.2319
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0209 0.0232
Schistosoma mansoni Smad4 0.0004 0.0027 0.0035
Echinococcus granulosus cpg binding protein 0.003 0.1821 0.2292
Loa Loa (eye worm) Smad1 0.001 0.0415 0.0389
Schistosoma mansoni inositol monophosphatase 0.0036 0.2278 0.29
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Echinococcus multilocularis cpg binding protein 0.003 0.1821 0.2292
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Brugia malayi Inositol-1 0.0036 0.2278 0.2256
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0209 0.0232
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.2278 0.2747
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1737 0.5
Schistosoma mansoni smad 0.001 0.0415 0.0528
Schistosoma mansoni smad 0.0004 0.0027 0.0035
Loa Loa (eye worm) inositol-1 0.0036 0.2278 0.2256
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.7852 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0323 0.0296
Brugia malayi CXXC zinc finger family protein 0.0028 0.1707 0.1685
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.7852 0.7847
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0621 0.0759
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2278 0.0884
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.2278 0.2876
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.2278 0.5
Echinococcus granulosus Smad4 0.001 0.0415 0.0495
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.3942 0.502
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0415 0.0495
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0209 0.0267
Schistosoma mansoni Smad4 0.0004 0.0027 0.0035
Schistosoma mansoni cpg binding protein 0.0028 0.1707 0.2174
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0415 0.0389
Loa Loa (eye worm) nuclear factor I 0.0005 0.0102 0.0075
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.7852 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.7852 1
Brugia malayi MH1 domain containing protein 0.0005 0.0102 0.0075
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.2278 0.3084
Schistosoma mansoni smad1 5 8 and 0.001 0.0415 0.0528
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.3743 0.4654
Brugia malayi hypothetical protein 0.0028 0.1737 0.1714
Schistosoma mansoni inositol monophosphatase 0.0036 0.2278 0.29
Schistosoma mansoni kinase 0.0058 0.385 0.4903
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0415 0.0528
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.2278 0.2747
Giardia lamblia Kinase, PLK 0.0114 0.7852 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.7852 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0621 0.0759
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0415 0.0495
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1707 0.1685
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0209 0.0232
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0209 0.0232
Onchocerca volvulus 0.0028 0.1707 0.2147
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1737 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.3743 0.4654
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0331 0.0388
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.2009 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.7852 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.7852 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2278 0.0884
Brugia malayi MH1 domain containing protein 0.001 0.0415 0.0389
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0415 0.0495
Loa Loa (eye worm) hypothetical protein 0.0005 0.0102 0.0075
Brugia malayi hypothetical protein 0.0018 0.102 0.0995
Echinococcus multilocularis smad 0.001 0.0415 0.0495
Echinococcus granulosus smad 0.001 0.0415 0.0495
Echinococcus multilocularis Smad4 0.001 0.0415 0.0495
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.7852 0.7847
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.7852 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.2278 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7852 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.7852 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.2278 0.2876
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.7852 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.2009 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2278 0.0884
Schistosoma mansoni Smad4 0.001 0.0415 0.0528
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.349 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.1737 0.5
Schistosoma mansoni hypothetical protein 0.0013 0.0621 0.0791
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0415 0.0528
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0415 0.0495
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0331 0.0388
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.2278 0.2747
Schistosoma mansoni cpg binding protein 0.003 0.1821 0.2319

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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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