Detailed information for compound 1199607

Basic information

Technical information
  • TDR Targets ID: 1199607
  • Name: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo pyrido[1,2-a]pyrimidine-3-carbaldehyde
  • MW: 315.324 | Formula: C16H17N3O4
  • H donors: 0 H acceptors: 2 LogP: 0.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(nc2n(c1=O)cccc2)N1CCC2(CC1)OCCO2
  • InChi: 1S/C16H17N3O4/c20-11-12-14(17-13-3-1-2-6-19(13)15(12)21)18-7-4-16(5-8-18)22-9-10-23-16/h1-3,6,11H,4-5,7-10H2
  • InChiKey: CDRNEASQBFJLAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-pyrido[1,2-a]pyrimidine-3-carbaldehyde
  • 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxaldehyde
  • 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-keto-pyrido[1,2-a]pyrimidine-3-carbaldehyde
  • BB_SC-0667
  • 2-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
  • MLS000333432
  • SMR000436725
  • ZINC00532597

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.0823 0.0946
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0292 0.0224
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.0823 0.0946
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0376 0.0328
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0103 0.0048
Echinococcus granulosus neuropeptide s receptor 0.0495 0.6984 0.6969
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.0956 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.0823 0.0759
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0241 0.0173
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0038 0.0103 0.0042
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0907
Echinococcus multilocularis neuropeptide s receptor 0.0495 0.6984 0.6963
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0565 0.8036 1
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.1126 0.1524
Loa Loa (eye worm) hypothetical protein 0.0086 0.0823 0.1087
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0038 0.0103 0.0042
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0267 0.0219
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0205 0.2617 0.258
Brugia malayi Cytochrome P450 family protein 0.0052 0.0313 0.0352
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0907
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0488 0.0604
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0267 0.0199
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0267 0.0285
Schistosoma mansoni hypothetical protein 0.0106 0.1126 0.1064
Schistosoma mansoni survival motor neuron protein 0.0101 0.1051 0.0988
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0635 0.0569
Brugia malayi hypothetical protein 0.0496 0.7 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0292 0.0321
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0565 0.8036 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.0488 0.0604
Brugia malayi Pre-SET motif family protein 0.0251 0.331 0.4677
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0103 0.0048
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0095 0.0956 0.0911
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.1866 0.2593
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.0823 0.0946
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0241 0.0173
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0038 0.0103 0.0048
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0488 0.0604
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0101 0.1051 0.1416
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0267 0.0285
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0565 0.8036 1
Onchocerca volvulus 0.0038 0.0103 0.0089
Schistosoma mansoni hypothetical protein 0.0049 0.0267 0.0199
Schistosoma mansoni microtubule-associated protein tau 0.0696 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0267 0.0285
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0488 0.0604
Schistosoma mansoni hypothetical protein 0.0347 0.4746 0.4709
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.0376 0.0344
Mycobacterium tuberculosis Possible oxidoreductase 0.0038 0.0103 0.01
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0095 0.0956 0.0893
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0241 0.0173
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0635 0.0588
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0095 0.0956 0.0893
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0038 0.0103 0.1075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0241 0.0193
Echinococcus multilocularis survival motor neuron protein 1 0.0496 0.7 0.6979
Plasmodium falciparum enoyl-acyl carrier reductase 0.0565 0.8036 1
Entamoeba histolytica hypothetical protein 0.0074 0.0635 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1794 0.2488
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3833 0.3955
Echinococcus granulosus tumor protein p63 0.0347 0.4756 0.473
Loa Loa (eye worm) hypothetical protein 0.0496 0.7 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.0376 0.0442
Brugia malayi MH2 domain containing protein 0.0122 0.1356 0.1857
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0038 0.0103 0.0034
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.0956 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.0103 0.01
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0038 0.0103 0.1075
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0488 0.0422
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0488 0.0422
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0038 0.0103 0.01
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0241 0.0248
Schistosoma mansoni hypothetical protein 0.0347 0.4746 0.4709
Echinococcus granulosus geminin 0.0347 0.4746 0.472
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0635 0.0569
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0038 0.0103 0.01
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0488 0.0422
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.0376 0.0442
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0095 0.0956 0.1279
Echinococcus multilocularis microtubule associated protein 2 0.0696 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0205 0.2617 0.2566
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0907
Schistosoma mansoni hypothetical protein 0.0049 0.0267 0.0199
Echinococcus multilocularis tumor protein p63 0.0347 0.4756 0.4719
Loa Loa (eye worm) hypothetical protein 0.0151 0.1794 0.2488
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0907
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0565 0.8036 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0038 0.0103 0.0048
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0038 0.0103 0.0042
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0565 0.8036 1
Loa Loa (eye worm) oxidoreductase 0.0038 0.0103 0.0048
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0777
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0907
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0038 0.0103 0.1075
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0907
Loa Loa (eye worm) hypothetical protein 0.0106 0.1126 0.1524
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0103 0.1083 0.1272
Mycobacterium tuberculosis Possible oxidoreductase 0.0038 0.0103 0.01
Brugia malayi glucose-6-phosphate dehydrogenase 0.0095 0.0956 0.1279
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0095 0.0956 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0069 0.002
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0488 0.0422
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0241 0.0193
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0038 0.0103 0.0054
Trichomonas vaginalis hypothetical protein 0.0565 0.8036 1
Echinococcus granulosus muscleblind protein 0.0151 0.1794 0.1753
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0488 0.0422
Schistosoma mansoni hypothetical protein 0.0101 0.1051 0.0988
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0095 0.0956 1
Brugia malayi RNA binding protein 0.0064 0.0488 0.0604
Echinococcus multilocularis geminin 0.0347 0.4746 0.4709
Schistosoma mansoni hypothetical protein 0.0074 0.0635 0.0569
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0095 0.0956 0.1075
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0038 0.0103 0.0042
Brugia malayi Probable ClpP-like protease 0.0086 0.0823 0.1087
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0062 0.046 0.049
Onchocerca volvulus 0.0286 0.3833 1
Echinococcus granulosus GPCR family 2 0.0049 0.0267 0.0219
Entamoeba histolytica hypothetical protein 0.0074 0.0635 1
Schistosoma mansoni hypothetical protein 0.0049 0.0267 0.0199
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0103 0.1083 0.1235
Brugia malayi Muscleblind-like protein 0.0151 0.1794 0.2488
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0241 0.0248
Echinococcus granulosus survival motor neuron protein 1 0.0496 0.7 0.6985
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0038 0.0103 0.01
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0103 0.1083 0.5
Onchocerca volvulus 0.0051 0.0292 0.0592
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0038 0.0103 0.0034
Loa Loa (eye worm) hypothetical protein 0.0038 0.0103 0.0048
Entamoeba histolytica hypothetical protein 0.0074 0.0635 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0038 0.0103 0.01
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0565 0.8036 1
Brugia malayi TAR-binding protein 0.0064 0.0488 0.0604
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1356 0.1857
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1794 0.1736
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0267 0.0285
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0241 0.0173
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0376 0.0309
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0488 0.0422
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0038 0.0103 0.01
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1356 0.1857
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0313 0.0352
Echinococcus multilocularis neuropeptide receptor A26 0.0495 0.6984 0.6963
Echinococcus multilocularis GPCR, family 2 0.0049 0.0267 0.0199
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0038 0.0103 0.01
Schistosoma mansoni dihydropteridine reductase 0.0038 0.0103 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.1866 0.2593
Onchocerca volvulus 0.0038 0.0103 0.0089
Brugia malayi hypothetical protein 0.0074 0.0635 0.0816
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.0823 0.0907
Onchocerca volvulus 0.0101 0.1051 0.2608
Echinococcus granulosus neuropeptide receptor A26 0.0495 0.6984 0.6969
Echinococcus granulosus tar DNA binding protein 0.0064 0.0488 0.0441
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0062 0.046 0.045
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0095 0.0956 0.1075
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0311 0.4216 0.5984
Entamoeba histolytica hypothetical protein 0.0074 0.0635 1
Echinococcus multilocularis muscleblind protein 0.0151 0.1794 0.1736
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0565 0.8036 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0241 0.0173
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0103 0.1083 0.1272
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.331 0.4677
Loa Loa (eye worm) hypothetical protein 0.0311 0.4216 0.5984
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.0823 0.0759
Schistosoma mansoni hypothetical protein 0.0049 0.0267 0.0199

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2512 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) 2.2387 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 223.8721 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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