Detailed information for compound 1277654

Basic information

Technical information
  • TDR Targets ID: 1277654
  • Name: 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3- dihydrobenzo[f]quinoline]-2,4,6-trione
  • MW: 337.372 | Formula: C19H19N3O3
  • H donors: 0 H acceptors: 3 LogP: 2.16 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(C)C(=O)C2(C(=O)N1C)CN(C)c1c(C2)c2ccccc2cc1
  • InChi: 1S/C19H19N3O3/c1-20-11-19(16(23)21(2)18(25)22(3)17(19)24)10-14-13-7-5-4-6-12(13)8-9-15(14)20/h4-9H,10-11H2,1-3H3
  • InChiKey: FBGZLHQQUBFFOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1',3',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-hexahydropyrimidine]-2',4',6'-trione
  • ZINC02204731
  • MLS000083553
  • SMR000047524

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans protein serine/threonine 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
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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 mexicana protein kinase, putative,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
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma congolense protein kinase, putative 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
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
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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
Loa Loa (eye worm) PLK/PLK1 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0118 0.0461 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0178 0.0165
Schistosoma mansoni serine/threonine protein kinase 0.1717 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1861 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1254 0.1254
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0118 0.0461 0.0461
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0178 0.0165
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1254 0.1254
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0014 0.0014
Brugia malayi hypothetical protein 0.0043 0.0014 0.0014
Brugia malayi jmjC domain containing protein 0.0071 0.0178 0.0178
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1861 1
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0178 0.0165
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0118 0.0461 0.0448
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Brugia malayi jmjC domain containing protein 0.0071 0.0178 0.0178
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0178 0.0165
Trypanosoma cruzi polo-like protein kinase, putative 0.0118 0.0461 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0118 0.0461 0.2424
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.0461 0.0461
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0783 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0114 0.0114
Onchocerca volvulus 0.0286 0.1461 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0114 0.0114
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0178 0.0178
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0783 0.5
Trypanosoma brucei polo-like protein kinase 0.0118 0.0461 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0118 0.0461 0.0448
Trypanosoma cruzi polo-like protein kinase, putative 0.0118 0.0461 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.1717 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0114 0.0114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0178 0.0178
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0461 0.1972
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0114 0.0114
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0783 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0118 0.0461 0.0461
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0178 0.0178
Schistosoma mansoni kinase 0.0062 0.0127 0.0127
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.1717 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1861 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0178 0.0178
Schistosoma mansoni hypothetical protein 0.0043 0.0014 0.0014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1861 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1861 0.5
Echinococcus granulosus MAP kinase activated protein kinase 2 0.1717 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1461 0.771

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 um PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ] ChEMBL. No reference
IC50 (binding) > 50 um PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays: 1220 ] ChEMBL. No reference
Potency (functional) 0.3696 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 (functional) 1.7783 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) 8.4368 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) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 11.1936 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) 100 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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.

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