Detailed information for compound 1356103

Basic information

Technical information
  • TDR Targets ID: 1356103
  • Name: 6-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfa nyl-5-phenyl-1H-pyrimidin-4-one
  • MW: 330.405 | Formula: C16H18N4O2S
  • H donors: 2 H acceptors: 4 LogP: 2.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)CSc1nc(N)c(c(n1)O)c1ccccc1
  • InChi: 1S/C16H18N4O2S/c17-14-13(11-6-2-1-3-7-11)15(22)19-16(18-14)23-10-12(21)20-8-4-5-9-20/h1-3,6-7H,4-5,8-10H2,(H3,17,18,19,22)
  • InChiKey: PGFLQNHHQGSNRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5-phenyl-1H-pyrimidin-4-one
  • 6-amino-2-[(2-oxo-2-1-pyrrolidinylethyl)thio]-5-phenyl-1H-pyrimidin-4-one
  • 6-amino-2-[(2-keto-2-pyrrolidin-1-yl-ethyl)thio]-5-phenyl-1H-pyrimidin-4-one
  • ZINC00555270
  • TimTec1_007455
  • 6-amino-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}-5-phenyl-4(1H)-pyrimidinone
  • MLS000063836
  • SMR000075725
  • IDI1_033109
  • ZINC00619666
  • 6-Amino-2-(2-oxo-2-pyrrolidin-1-yl-ethylsulfanyl)-5-phenyl-1H-pyrimidin-4-one
  • BAS 07215515

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Serine/threonine-protein kinase PLK1, 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
Onchocerca volvulus Serine\/threonine kinase homolog 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
Echinococcus multilocularis serine:threonine protein kinase PLK1 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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi polo-like protein kinase, putative 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni serine/threonine 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
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana 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
Leishmania braziliensis 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 chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense polo-like protein kinase,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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
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
Onchocerca volvulus 0.0035 0.2525 0.2085
Brugia malayi chromobox protein homolog 3 0.0047 0.3701 0.3534
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0557 0.0557
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0557 0.0489
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Loa Loa (eye worm) helicase 0.0014 0.0557 0.0294
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0557 0.0489
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.4038 0.3686
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 0.5
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0557 0.0489
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.027 0.02
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0557 0.0557
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0557 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.7182 0.7103
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.2404 0.2404
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3701 0.3701
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1296 0.1296
Echinococcus granulosus Chromo domain 0.0014 0.0557 0.0489
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Schistosoma mansoni kinase 0.0058 0.4718 0.4681
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.3701 0.3329
Trichomonas vaginalis hypothetical protein 0.0014 0.0557 0.0557
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Trichomonas vaginalis Heterochromatin protein, putative 0.0014 0.0557 0.0557
Echinococcus granulosus chromobox protein 1 0.0084 0.7182 0.7161
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0954 0.0954
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0557 0.0307
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0557 0.0307
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0557 0.0557
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.027 0.02
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.5446 1
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0557 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.2525 0.2472
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.09 0.09
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1296 0.1296
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.0628 0.0561
Echinococcus granulosus Chromobox protein 3 0.0014 0.0557 0.0489
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Brugia malayi Protein cec-1. 0.0014 0.0557 0.0307
Onchocerca volvulus 0.0015 0.0628 0.0076
Brugia malayi CHD4 protein 0.0016 0.0743 0.0498
Loa Loa (eye worm) hypothetical protein 0.0037 0.2741 0.254
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0557 0.0307
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0557 0.0557
Schistosoma mansoni chromobox protein 0.0014 0.0557 0.0489
Onchocerca volvulus 0.0037 0.2741 0.2313
Brugia malayi Heterochromatin protein 1 0.0084 0.7182 0.7107
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0743 0.0486
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.2712 0.2659
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4038 0.4038
Brugia malayi hypothetical protein 0.0014 0.0557 0.0307
Echinococcus granulosus chromobox protein 1 0.0084 0.7182 0.7161
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0557 0.0307
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Loa Loa (eye worm) hypothetical protein 0.0047 0.3701 0.3525
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Trypanosoma brucei polo-like protein kinase 0.0114 1 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3701 0.3701
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1296 0.1296
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0557 0.0557
Echinococcus multilocularis Chromo domain 0.0014 0.0557 0.0489
Brugia malayi SET domain containing protein 0.0015 0.0628 0.038
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1296 0.1296
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0743 0.0676
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0743 0.0676
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Giardia lamblia Kinase, PLK 0.0114 1 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4038 0.4038
Echinococcus multilocularis cpg binding protein 0.0037 0.2712 0.2659
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4577 0.4577
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Echinococcus multilocularis chromobox protein 1 0.0084 0.7182 0.7161
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Schistosoma mansoni chromobox protein 0.0084 0.7182 0.7161
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1296 0.1296
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.2404 0.2404
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0954 0.0954
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0557 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.6186 0.6159
Schistosoma mansoni chromobox protein 0.0014 0.0557 0.0489
Schistosoma mansoni cpg binding protein 0.0037 0.2712 0.2659
Echinococcus granulosus chromobox protein 2 0.0014 0.0557 0.0489
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0557 0.0489
Echinococcus granulosus cpg binding protein 0.0037 0.2712 0.2659
Schistosoma mansoni hypothetical protein 0.0014 0.0557 0.0489
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0743 0.0676
Echinococcus multilocularis chromobox protein 2 0.0014 0.0557 0.0489
Plasmodium vivax heterochromatin protein 1, putative 0.0014 0.0557 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 1 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0557 0.0489
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4577 0.4577
Loa Loa (eye worm) hypothetical protein 0.0014 0.0557 0.0294
Trichomonas vaginalis chromobox protein, putative 0.0084 0.7182 0.7182
Echinococcus multilocularis chromobox protein 1 0.0084 0.7182 0.7161
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1296 0.1296
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0557 0.0557
Trichomonas vaginalis chromobox protein, putative 0.0084 0.7182 0.7182
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0557 0.0557
Schistosoma mansoni chromobox protein 0.0084 0.7182 0.7161
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 1 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.1296 0.1296
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 1 1
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0557 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.2525 0.2328
Plasmodium falciparum heterochromatin protein 1 0.0014 0.0557 0.5
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0557 0.0489
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2525 0.2318
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.1296 0.1296

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 6.7016 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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