Detailed information for compound 1257489

Basic information

Technical information
  • TDR Targets ID: 1257489
  • Name: 4-(4-chlorophenyl)-1,6-dimethyl-5-nitro-3,4-d ihydropyrimidin-2-one
  • MW: 281.695 | Formula: C12H12ClN3O3
  • H donors: 1 H acceptors: 3 LogP: 1.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1NC(=O)N(C(=C1[N+](=O)[O-])C)C
  • InChi: 1S/C12H12ClN3O3/c1-7-11(16(18)19)10(14-12(17)15(7)2)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3,(H,14,17)
  • InChiKey: WDYUIDSGUAEJKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-Chloro-phenyl)-1,6-dimethyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one
  • BAS 00104618
  • MLS001208053
  • SMR000504896
  • Oprea1_626029
  • Oprea1_245432

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis CAMK family protein kinase 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
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
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi serine/threonine-protein kinase plk-2 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
Leishmania infantum 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, 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
Trichomonas vaginalis CAMK family 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
Trypanosoma brucei polo-like 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
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense 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
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0258 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0091 0.0158
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0258 0.0513
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0588 0.1248
Schistosoma mansoni tyrosine kinase 0.0142 0.118 0.2503
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0258 0.0513
Chlamydia trachomatis protoporphyrinogen oxidase 0.0063 0.0258 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0222 0.0471
Schistosoma mansoni kinesin eg-5 0.0052 0.0129 0.0273
Schistosoma mansoni tyrosine kinase 0.0239 0.2311 0.4902
Loa Loa (eye worm) hypothetical protein 0.0063 0.0258 0.0548
Brugia malayi jmjC domain containing protein 0.0115 0.0864 0.1833
Toxoplasma gondii histone lysine-specific demethylase 0.0063 0.0258 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0063 0.0258 0.0513
Loa Loa (eye worm) TK/INSR protein kinase 0.0142 0.118 0.2503
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0091 0.0158
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0239 0.2311 0.4884
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0142 0.118 0.2476
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0017 0.0036
Plasmodium falciparum protoporphyrinogen oxidase 0.0063 0.0258 1
Echinococcus granulosus epidermal growth factor receptor 0.0239 0.2311 0.4884
Loa Loa (eye worm) hypothetical protein 0.0063 0.0258 0.0548
Echinococcus multilocularis 0.0063 0.0258 0.0513
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0368 0.078
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0052 0.0129 0.0273
Echinococcus multilocularis epidermal growth factor receptor 0.0446 0.4715 1
Brugia malayi hypothetical protein 0.0063 0.0258 0.0548
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0063 0.0258 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0899 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.085 0.1773
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.085 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0063 0.0258 0.0513
Schistosoma mansoni amine oxidase 0.0063 0.0258 0.0548
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.085 0.1803
Echinococcus multilocularis muscleblind protein 1 0.018 0.1623 0.3419
Echinococcus granulosus insulin receptor 0.0142 0.118 0.2476
Loa Loa (eye worm) hypothetical protein 0.018 0.1623 0.3443
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0063 0.0258 0.0548
Loa Loa (eye worm) hypothetical protein 0.0063 0.0258 0.0548
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Brugia malayi SWIRM domain containing protein 0.0063 0.0258 0.0548
Echinococcus multilocularis muscleblind protein 0.018 0.1623 0.3419
Schistosoma mansoni tyrosine kinase 0.0239 0.2311 0.4902
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1623 0.3443
Schistosoma mansoni hypothetical protein 0.0349 0.3594 0.7624
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0142 0.118 0.2476
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0258 1
Schistosoma mansoni tyrosine kinase 0.0237 0.2282 0.484
Schistosoma mansoni kinase 0.0058 0.0196 0.0416
Loa Loa (eye worm) hypothetical protein 0.006 0.0224 0.0475
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0063 0.0258 0.0548
Echinococcus granulosus muscleblind protein 0.018 0.1623 0.3419
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.085 0.1773
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0063 0.0258 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.085 1
Echinococcus multilocularis 0.0138 0.1128 0.2365
Loa Loa (eye worm) hypothetical protein 0.0063 0.0258 0.0548
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.085 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0258 0.0548
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Schistosoma mansoni tyrosine kinase 0.0237 0.2282 0.484
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.085 0.1803
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0017 0.0036
Brugia malayi jmjC domain containing protein 0.0043 0.0017 0.0036
Schistosoma mansoni tyrosine kinase 0.0142 0.118 0.2503
Schistosoma mansoni tyrosine kinase 0.0446 0.4715 1
Brugia malayi Kinesin motor domain containing protein 0.0052 0.0129 0.0273
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.085 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.085 0.1803
Echinococcus granulosus kinesin family 1 0.0402 0.4203 0.891
Echinococcus multilocularis epidermal growth factor receptor 0.0239 0.2311 0.4884
Schistosoma mansoni tyrosine kinase 0.0237 0.2282 0.484
Echinococcus multilocularis insulin receptor 0.0142 0.118 0.2476
Echinococcus multilocularis kinesin family 1 0.0402 0.4203 0.891
Trypanosoma brucei polo-like protein kinase 0.0114 0.085 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0836 0.9262 1
Echinococcus granulosus epidermal growth factor receptor 0.0446 0.4715 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0063 0.0258 0.0548
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0063 0.0258 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0063 0.0258 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0063 0.0258 0.5
Brugia malayi Protein kinase domain containing protein 0.0142 0.118 0.2503
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0063 0.0258 1
Brugia malayi Furin-like cysteine rich region family protein 0.0446 0.4715 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0864 0.1804
Brugia malayi Muscleblind-like protein 0.018 0.1623 0.3443
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0222 0.0471
Giardia lamblia Kinase, PLK 0.0114 0.085 1
Schistosoma mansoni amine oxidase 0.0063 0.0258 0.0548
Loa Loa (eye worm) hypothetical protein 0.006 0.0222 0.0471
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.085 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0864 0.1804
Loa Loa (eye worm) TK/EGFR protein kinase 0.0446 0.4715 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0222 0.0471
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0017 0.0036
Loa Loa (eye worm) hypothetical protein 0.0063 0.0258 0.0548
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.085 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9935 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.