Detailed information for compound 1438988

Basic information

Technical information
  • TDR Targets ID: 1438988
  • Name: N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3- oxopropyl]-2-(4-oxoquinazolin-3-yl)acetamide
  • MW: 400.428 | Formula: C20H24N4O5
  • H donors: 1 H acceptors: 3 LogP: -0.39 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1cnc2c(c1=O)cccc2)NCCC(=O)N1CCC2(CC1)OCCO2
  • InChi: 1S/C20H24N4O5/c25-17(13-24-14-22-16-4-2-1-3-15(16)19(24)27)21-8-5-18(26)23-9-6-20(7-10-23)28-11-12-29-20/h1-4,14H,5-13H2,(H,21,25)
  • InChiKey: DJEJUIAMGLWGGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxo-propyl]-2-(4-oxoquinazolin-3-yl)acetamide
  • N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-2-(4-oxo-3-quinazolinyl)acetamide
  • N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-keto-propyl]-2-(4-ketoquinazolin-3-yl)acetamide
  • N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxo-propyl]-2-(4-oxoquinazolin-3-yl)ethanamide
  • SMR000130089
  • MLS000519671

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0041 0.0244 0.0239
Schistosoma mansoni protein kinase 0.0332 0.4211 0.4208
Trypanosoma cruzi casein kinase, putative 0.0332 0.4211 0.4208
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0104 0.0186
Echinococcus multilocularis Immunoglobulin 0.0033 0.0134 0.013
Trichomonas vaginalis CMGC family protein kinase 0.0347 0.4406 0.1717
Plasmodium vivax glycogen synthase kinase 3, putative 0.0415 0.5337 0.9982
Onchocerca volvulus 0.0313 0.3951 0.7402
Echinococcus granulosus cyclin dependent kinase 5 0.0416 0.5346 0.5344
Loa Loa (eye worm) hypothetical protein 0.0397 0.5086 0.5035
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0033 0.0134 0.013
Schistosoma mansoni serine/threonine protein kinase 0.0332 0.4211 0.4208
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0244 0.0239
Brugia malayi SRC-1 0.0041 0.0244 0.0141
Echinococcus multilocularis dual specificity 0.0347 0.4406 0.4403
Echinococcus granulosus tyrosine protein kinase HCK 0.0033 0.0142 0.0138
Leishmania major casein kinase, putative 0.0332 0.4211 0.4208
Echinococcus granulosus casein kinase I alpha 0.0332 0.4211 0.4208
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0415 0.5337 0.5335
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0332 0.4211 0.415
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0041 0.0244 0.0239
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Entamoeba histolytica protein kinase domain containing protein 0.0415 0.5337 0.5336
Trichomonas vaginalis CMGC family protein kinase 0.0347 0.4406 0.1717
Brugia malayi Fibronectin type III domain containing protein 0.0033 0.0134 0.0031
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Trypanosoma cruzi casein kinase, putative 0.0332 0.4211 0.4208
Plasmodium vivax casein kinase 1, putative 0.0332 0.4211 0.7833
Brugia malayi Immunoglobulin I-set domain containing protein 0.0037 0.0189 0.0086
Entamoeba histolytica protein kinase domain containing protein 0.0758 1 1
Echinococcus multilocularis casein kinase i 0.0332 0.4211 0.4208
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0416 0.5346 1
Echinococcus granulosus tyrosine kinase 0.0037 0.0194 0.0189
Trypanosoma brucei protein kinase, putative 0.0415 0.5337 0.5335
Echinococcus granulosus casein kinase I alpha 0.0332 0.4211 0.4208
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0415 0.5337 0.5335
Schistosoma mansoni serine/threonine protein kinase 0.0416 0.5346 0.5344
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0104 0.0099
Trypanosoma cruzi casein kinase, putative 0.0332 0.4211 0.4208
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0194 0.0189
Echinococcus multilocularis Immunoglobulin 0.0033 0.0134 0.013
Echinococcus granulosus protein kinase shaggy 0.0415 0.5337 0.5335
Toxoplasma gondii casein kinase I 0.0332 0.4211 0.7874
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0347 0.4406 0.4403
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Trichomonas vaginalis CMGC family protein kinase 0.0347 0.4406 0.1717
Schistosoma mansoni serine/threonine protein kinase 0.0347 0.4406 0.4403
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Entamoeba histolytica casein kinase 1, putative 0.0332 0.4211 0.421
Plasmodium falciparum protein kinase 5 0.0416 0.5346 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0244 0.0239
Echinococcus multilocularis casein kinase I delta 0.0332 0.4211 0.4208
Echinococcus multilocularis protein kinase shaggy 0.0415 0.5337 0.5335
Echinococcus granulosus tyrosine protein kinase Src42A 0.0041 0.0244 0.0239
Echinococcus granulosus casein kinase I alpha 0.0332 0.4211 0.4208
Trypanosoma brucei cdc2-related kinase 3 0.0416 0.5346 0.5344
Echinococcus granulosus tyrosine protein kinase Blk 0.0037 0.0194 0.0189
Echinococcus multilocularis tyrosine protein kinase Srms 0.0037 0.0194 0.0189
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0347 0.4406 0.4403
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0332 0.4211 0.415
Echinococcus multilocularis cyclin dependent kinase 0.0416 0.5346 0.5344
Entamoeba histolytica protein kinase, putative 0.0347 0.4406 0.4405
Entamoeba histolytica casein kinase, putative 0.0332 0.4211 0.421
Echinococcus granulosus casein kinase I delta 0.0332 0.4211 0.4208
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0332 0.4211 0.415
Trypanosoma cruzi cdc2-related kinase 3 0.0416 0.5346 0.5344
Giardia lamblia Kinase, CMGC DYRK 0.0347 0.4406 0.1717
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0244 0.0239
Brugia malayi casein kinase 1, delta 0.0332 0.4211 0.415
Loa Loa (eye worm) hypothetical protein 0.0738 0.974 0.9737
Trichomonas vaginalis CMGC family protein kinase 0.0347 0.4406 0.1717
Entamoeba histolytica protein kinase, putative 0.0758 1 1
Schistosoma mansoni tyrosine kinase 0.0041 0.0244 0.0239
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0041 0.0244 0.0239
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0041 0.0244 0.0239
Echinococcus multilocularis dual specificity 0.0347 0.4406 0.4403
Echinococcus multilocularis tyrosine protein kinase Blk 0.0037 0.0194 0.0189
Plasmodium falciparum glycogen synthase kinase 3 0.0415 0.5337 0.9982
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Echinococcus granulosus roundabout 2 0.0033 0.0134 0.013
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0104 0.0186
Onchocerca volvulus 0.0332 0.4211 0.7889
Echinococcus granulosus dual specificity 0.0758 1 1
Brugia malayi casein kinase I 0.0332 0.4211 0.415
Schistosoma mansoni vesicular amine transporter 0.0033 0.0134 0.013
Trypanosoma brucei cdc2-related kinase 1 0.0416 0.5346 0.5344
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0416 0.5346 0.5344
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0332 0.4211 0.4208
Entamoeba histolytica protein kinase, putative 0.0033 0.0142 0.0141
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0758 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0758 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0758 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0415 0.5337 0.5288
Trichomonas vaginalis CMGC family protein kinase 0.0347 0.4406 0.1717
Schistosoma mansoni nephrin 0.0033 0.0134 0.013
Echinococcus granulosus defective proboscis extension response 0.0033 0.0134 0.013
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0033 0.0134 0.013
Plasmodium vivax protein kinase Crk2 0.0416 0.5346 1
Trypanosoma cruzi casein kinase, putative 0.0332 0.4211 0.4208
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0415 0.5337 0.5335
Echinococcus multilocularis cyclin dependent kinase 1 0.0416 0.5346 0.5344
Trichomonas vaginalis CMGC family protein kinase 0.0416 0.5346 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0033 0.0142 0.0138
Trichomonas vaginalis CMGC family protein kinase 0.0415 0.5337 0.9917
Giardia lamblia Kinase, CMGC CDK 0.0416 0.5346 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0244 0.0239
Entamoeba histolytica cell division protein kinase 2, putative 0.0416 0.5346 0.5346
Brugia malayi Protein kinase domain containing protein 0.0416 0.5346 0.5297
Trypanosoma cruzi cdc2-related kinase 3 0.0416 0.5346 0.5344
Echinococcus multilocularis casein kinase I delta 0.0332 0.4211 0.4208
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0415 0.5337 0.9982
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0416 0.5346 0.5344
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0041 0.0244 0.0239
Echinococcus multilocularis roundabout 2 0.0033 0.0134 0.013
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0416 0.5346 0.5344
Giardia lamblia Kinase, CMGC CDK 0.0416 0.5346 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0134 0.0031
Entamoeba histolytica hypothetical protein 0.0758 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0041 0.0244 0.0239
Echinococcus multilocularis casein kinase I alpha 0.0332 0.4211 0.4208
Echinococcus multilocularis casein kinase I alpha 0.0332 0.4211 0.4208
Brugia malayi hypothetical protein 0.0033 0.0134 0.0031
Brugia malayi intracellular kinase 0.0415 0.5337 0.5288
Schistosoma mansoni serine/threonine protein kinase 0.0416 0.5346 0.5344
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0041 0.0244 0.0239
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0416 0.5346 0.5297
Brugia malayi cell division control protein 2 homolog 0.0416 0.5346 0.5297
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0104 0.0186
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0347 0.4406 0.8239
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0244 0.0239
Echinococcus granulosus cyclin dependent kinase 0.0416 0.5346 0.5344
Loa Loa (eye worm) TK protein kinase 0.0037 0.0194 0.009
Echinococcus granulosus dual specificity 0.0347 0.4406 0.4403
Trichomonas vaginalis CMGC family protein kinase 0.0416 0.5346 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0758 1 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0758 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0104 0.0099
Entamoeba histolytica protein kinase, putative 0.0415 0.5337 0.5336
Echinococcus multilocularis casein kinase I alpha 0.0332 0.4211 0.4208
Giardia lamblia Kinase, CMGC GSK 0.0415 0.5337 0.9917
Echinococcus multilocularis cyclin dependent kinase 5 0.0416 0.5346 0.5344
Echinococcus granulosus casein kinase I delta 0.0332 0.4211 0.4208
Giardia lamblia Kinase, CMGC GSK 0.0415 0.5337 0.9917
Entamoeba histolytica protein kinase, putative 0.0758 1 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0415 0.5337 0.5335
Trichomonas vaginalis CMGC family protein kinase 0.0347 0.4406 0.1717
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0104 0.0099
Trichomonas vaginalis CMGC family protein kinase 0.0415 0.5337 0.9917
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0037 0.0194 0.0189
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0033 0.0134 0.013
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0037 0.0189 0.0086
Loa Loa (eye worm) TK protein kinase 0.0033 0.0142 0.0039
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0415 0.5337 0.5335
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0041 0.0244 0.0239
Echinococcus granulosus twitchin 0.0052 0.0395 0.039
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0033 0.0139 0.0134
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0347 0.4406 0.4347
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0416 0.5346 0.5297
Echinococcus multilocularis dual specificity 0.0758 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0347 0.4406 0.4405
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0758 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0033 0.0134 0.013
Trypanosoma brucei casein kinase I, isoform 2 0.0332 0.4211 0.4208
Echinococcus multilocularis neuroglian 0.0033 0.0134 0.013
Schistosoma mansoni tyrosine kinase 0.0041 0.0244 0.0239
Echinococcus granulosus Immunoglobulin 0.0033 0.0134 0.013
Entamoeba histolytica protein kinase domain containing protein 0.0415 0.5337 0.5336
Echinococcus granulosus tyrosine protein kinase Lyn 0.006 0.0504 0.0499
Echinococcus granulosus dual specificity 0.0347 0.4406 0.4403
Echinococcus granulosus cyclin dependent kinase 1 0.0416 0.5346 0.5344
Trypanosoma cruzi cdc2-related kinase 1 0.0416 0.5346 0.5344
Onchocerca volvulus 0.0415 0.5337 1
Plasmodium falciparum casein kinase 1 0.0332 0.4211 0.7874
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Brugia malayi protein-tyrosine kinase 0.0037 0.0194 0.009
Echinococcus granulosus dual specificity 0.0347 0.4406 0.4403
Schistosoma mansoni cell adhesion molecule 0.0033 0.0134 0.013
Trichomonas vaginalis CMGC family protein kinase 0.0416 0.5346 1
Loa Loa (eye worm) SRC-1 0.0041 0.0244 0.0141
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0416 0.5346 0.5297
Entamoeba histolytica protein kinase domain containing protein 0.0023 0.0005 0.0003
Leishmania major hypothetical protein, conserved 0.003 0.0104 0.0099
Echinococcus granulosus neuroglian 0.0033 0.0134 0.013
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0415 0.5337 0.5288
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0347 0.4406 0.4347
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0347 0.4406 0.4403
Echinococcus multilocularis dual specificity 0.0347 0.4406 0.4403
Trypanosoma cruzi casein kinase, putative 0.0332 0.4211 0.4208
Echinococcus multilocularis cyclin dependent kinase 1 0.0416 0.5346 0.5344
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0041 0.0244 0.0239
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0244 0.0239
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0031
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0313 0.3951 0.3948
Echinococcus granulosus casein kinase i 0.0332 0.4211 0.4208
Loa Loa (eye worm) hypothetical protein 0.0738 0.974 0.9737
Trypanosoma cruzi cdc2-related kinase 1 0.0416 0.5346 0.5344
Entamoeba histolytica cell division protein kinase 2, putative 0.0416 0.5346 0.5346
Echinococcus granulosus tyrosine protein kinase Src42A 0.0033 0.0139 0.0134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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