Detailed information for compound 1335320

Basic information

Technical information
  • TDR Targets ID: 1335320
  • Name: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl) -N-(3-fluorophenyl)acetamide
  • MW: 333.357 | Formula: C17H20FN3O3
  • H donors: 2 H acceptors: 3 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC2(C1=O)CCCCCC2)Nc1cccc(c1)F
  • InChi: 1S/C17H20FN3O3/c18-12-6-5-7-13(10-12)19-14(22)11-21-15(23)17(20-16(21)24)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,19,22)(H,20,24)
  • InChiKey: CZGBDBAAACVCFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,4-diketo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-fluorophenyl)acetamide
  • 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-fluorophenyl)ethanamide
  • ZINC03592699
  • T5511893

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
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
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Brugia malayi Bromodomain containing protein 0.0046 0.0758 0.0731
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0162 0.4276 0.8869
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1103 0.1577
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.009 0.21 0.0954
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0179 0.0176
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0172 0.4587 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.1675 0.1616
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0407 0.0545
Toxoplasma gondii IMP dehydrogenas 0.0172 0.4587 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1345 0.1604
Brugia malayi Pre-SET motif family protein 0.0036 0.0447 0.027
Loa Loa (eye worm) hypothetical protein 0.0057 0.1074 0.1535
Loa Loa (eye worm) hypothetical protein 0.0046 0.076 0.1087
Plasmodium vivax SET domain protein, putative 0.0036 0.0447 0.0427
Brugia malayi hypothetical protein 0.003 0.0277 0.0016
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0447 0.0396
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1345 0.2062
Brugia malayi mbt repeat family protein 0.0058 0.1103 0.1244
Loa Loa (eye worm) IMP dehydrogenase 1 0.0172 0.4587 0.6558
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0072 0.1527 0.1874
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1345 0.1284
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1103 0.167
Trypanosoma brucei GMP reductase 0.0172 0.4587 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1103 0.104
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0172 0.4587 1
Trypanosoma cruzi GMP reductase 0.0172 0.4587 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0172 0.4587 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0172 0.4587 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1074 0.1011
Loa Loa (eye worm) hypothetical protein 0.0049 0.0847 0.1211
Loa Loa (eye worm) hypothetical protein 0.0085 0.1948 0.2786
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0172 0.4587 0.6422
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0671 0.0971
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1103 0.0862
Onchocerca volvulus Putative GMP reductase 0.0072 0.1527 0.142
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1544 0.2383
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1544 0.2383
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0172 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0917 0.1312
Schistosoma mansoni hypothetical protein 0.0025 0.0109 0.0039
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0179 0.0176
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1103 0.167
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1103 0.167
Brugia malayi mbt repeat family protein 0.0058 0.1103 0.1244
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1345 0.2062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1074 0.1011
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0172 0.4587 0.5
Loa Loa (eye worm) GMP reductase 0.0072 0.1527 0.2183
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0172 0.4587 0.7304
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0172 0.4587 0.7304
Trypanosoma cruzi GMP reductase 0.0172 0.4587 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.805 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1103 0.104
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0447 0.038
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0109 0.0156
Onchocerca volvulus 0.0286 0.805 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.6254 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6994 1
Brugia malayi Pre-SET motif family protein 0.0251 0.6994 1
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0172 0.4587 0.4549
Leishmania major guanosine monophosphate reductase 0.0172 0.4587 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0172 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1345 0.1924
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0162 0.4276 1
Brugia malayi GMP reductase 0.0072 0.1527 0.1874
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1103 0.167
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1074 0.1623
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0172 0.4587 1
Loa Loa (eye worm) MBCTL1 0.0066 0.1345 0.1924
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0671 0.0971
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1345 0.2062
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1074 0.1623
Leishmania major inosine-5-monophosphate dehydrogenase 0.0172 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1103 0.1577
Loa Loa (eye worm) hypothetical protein 0.003 0.0277 0.0396
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0447 0.038
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1345 0.2062
Brugia malayi Bromodomain containing protein 0.0091 0.2105 0.2734
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0179 0.011
Onchocerca volvulus 0.0058 0.1103 0.0862
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0072 0.1527 0.1874
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.6254 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0447 0.061
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1103 0.104
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0162 0.4276 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 3.5481 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) 5.0119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 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: 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.

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