Detailed information for compound 1268845

Basic information

Technical information
  • TDR Targets ID: 1268845
  • Name: 4-dimethylamino-N-[1-(2-oxoazetidin-1-yl)cycl opentyl]benzamide
  • MW: 301.383 | Formula: C17H23N3O2
  • H donors: 1 H acceptors: 2 LogP: 1.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCN1C1(CCCC1)NC(=O)c1ccc(cc1)N(C)C
  • InChi: 1S/C17H23N3O2/c1-19(2)14-7-5-13(6-8-14)16(22)18-17(10-3-4-11-17)20-12-9-15(20)21/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)
  • InChiKey: UEEPGZHEKMAKIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-dimethylamino-N-[1-(2-oxo-1-azetidinyl)cyclopentyl]benzamide
  • 4-dimethylamino-N-[1-(2-ketoazetidin-1-yl)cyclopentyl]benzamide
  • 4-Dimethylamino-N-[1-(2-oxo-azetidin-1-yl)-cyclopentyl]-benzamide
  • ASN 13120162
  • MLS000765000
  • SMR000286805
  • ZINC01410249

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
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
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.2565 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.1553 1
Schistosoma mansoni ATP synthase F0 subunit 6 0.022 0.9595 1
Schistosoma mansoni ap endonuclease 0.0018 0.051 0.0532
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.1553 0.6054
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.051 0.0532
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0991 0.1033
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0381 0.1487
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.1553 0.6054
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0943 0.1335
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.1547 0.1092
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.1547 0.9963
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.022 0.9595 1
Leishmania major hypothetical protein, conserved 0.0041 0.1553 0.6054
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0381 0.0436
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.5999 0.849
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.1553 1
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.5999 0.6857
Schistosoma mansoni hypothetical protein 0.0164 0.7066 0.7364
Echinococcus granulosus transcription factor Dp 1 0.0037 0.1355 0.1917
Toxoplasma gondii exonuclease III APE 0.0018 0.051 0.3287
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.022 0.9595 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0991 0.1133
Brugia malayi Pre-SET motif family protein 0.0202 0.8749 1
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.022 0.9595 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0991 0.1403
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1392 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0991 0.6383
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.051 0.5
Brugia malayi Cytochrome P450 family protein 0.0015 0.0381 0.0436
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.1553 0.2197
Plasmodium vivax SET domain protein, putative 0.0029 0.0991 0.4612
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.5822 0.824
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.1355 0.1917
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8749 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.2565 0.363
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.2565 0.2931
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0381 0.0397
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.1547 0.9944
Echinococcus multilocularis geminin 0.0164 0.7066 1
Leishmania major cytochrome p450-like protein 0.0015 0.0381 0.1487
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1392 0.8462
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.2565 0.363
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.051 0.199
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.1553 0.1775
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0991 0.1403
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0381 0.0436
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.051 0.199
Brugia malayi Augmenter of liver regeneration 0.0041 0.1553 0.1775
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.2565 0.2931
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.2565 1
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0381 0.1487
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.1547 0.9963
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.2565 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0991 0.1033
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.1553 0.6054
Trichomonas vaginalis set domain proteins, putative 0.023 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1392 0.4293
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.2565 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.051 0.0583
Echinococcus granulosus geminin 0.0164 0.7066 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.2565 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.1553 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.051 0.199
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.051 0.0722
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0991 0.1033
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.1547 0.1092
Loa Loa (eye worm) hypothetical protein 0.0029 0.0991 0.1133
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.051 0.0532
Loa Loa (eye worm) acetyltransferase 0.014 0.5999 0.6857
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0381 0.1487
Mycobacterium leprae PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6) 0.022 0.9595 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.1553 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0991 0.1403
Brugia malayi Cytochrome P450 family protein 0.0015 0.0381 0.0436
Schistosoma mansoni hypothetical protein 0.0164 0.7066 0.7364
Loa Loa (eye worm) hypothetical protein 0.0008 0.0073 0.0084
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.2565 0.2673
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.5999 0.6253
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.051 0.199
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.051 0.0583
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.1547 0.2189
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.051 0.0722
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0991 0.1033
Schistosoma mansoni ap endonuclease 0.0018 0.051 0.0532
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.1553 0.6054
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.1553 0.2197
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0381 0.0436

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.546 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
IC50 (functional) 126.22 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 25.1189 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) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 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 Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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