Detailed information for compound 878427

Basic information

Technical information
  • TDR Targets ID: 878427
  • Name: 1-[8-[4-(phenoxy)butanoyl]-3,8-diazaspiro[4.5 ]decan-3-yl]hex-2-yn-1-one
  • MW: 396.522 | Formula: C24H32N2O3
  • H donors: 0 H acceptors: 2 LogP: 3.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC#CC(=O)N1CCC2(C1)CCN(CC2)C(=O)CCCOc1ccccc1
  • InChi: 1S/C24H32N2O3/c1-2-3-5-11-23(28)26-18-15-24(20-26)13-16-25(17-14-24)22(27)12-8-19-29-21-9-6-4-7-10-21/h4,6-7,9-10H,2-3,8,12-20H2,1H3
  • InChiKey: OZZOLAJIYLOOFO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[8-[1-oxo-4-(phenoxy)butyl]-3,8-diazaspiro[4.5]decan-3-yl]hex-2-yn-1-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Leishmania major cytochrome p450-like protein 0.0016 0.012 0.012
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.012 0.0333
Entamoeba histolytica protein kinase, putative 0.0102 0.1051 1
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0229 0.0464
Echinococcus multilocularis musashi 0.0031 0.0279 0.0226
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.1703
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0106 0.0052
Loa Loa (eye worm) hypothetical protein 0.0019 0.0155 0.0273
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0102 0.1051 0.3381
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0086 0.0815
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0016 0.012 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0016 0.012 0.0077
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0016 0.012 0.0077
Onchocerca volvulus 0.0034 0.0315 0.0931
Echinococcus multilocularis ewsr:fli fusion protein type 0.0012 0.0075 0.0021
Echinococcus multilocularis lamin dm0 0.0031 0.0279 0.0226
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0315 0.0262
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0016 0.012 0.0077
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0012 0.0075 0.0279
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0016 0.012 0.0077
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0016 0.012 0.0077
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0123 0.0263
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0012 0.0075 0.0021
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0016 0.012 0.0077
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0016 0.012 0.012
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0102 0.1051 0.3381
Loa Loa (eye worm) hypothetical protein 0.0015 0.0106 0.0144
Brugia malayi Death domain containing protein 0.0016 0.0123 0.026
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0016 0.012 0.0077
Entamoeba histolytica protein kinase domain containing protein 0.0102 0.1051 1
Schistosoma mansoni hypothetical protein 0.0193 0.2046 0.766
Echinococcus multilocularis ETS transcription factor Elf 5 0.0012 0.0075 0.0021
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0016 0.012 0.012
Mycobacterium ulcerans methylated-DNA--protein-cysteine methyltransferase Ogt 0.0836 0.9053 1
Echinococcus multilocularis ets variant gene 4 0.0012 0.0075 0.0021
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0016 0.012 0.0077
Brugia malayi Pre-SET motif family protein 0.0237 0.2525 0.8947
Echinococcus multilocularis dual specificity 0.0102 0.1051 0.1003
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0086 0.0121
Schistosoma mansoni gabp alpha 0.0082 0.0842 0.3154
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0016 0.012 0.0077
Brugia malayi Cytochrome P450 family protein 0.0016 0.012 0.025
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0016 0.012 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0016 0.012 0.0077
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0016 0.012 0.0077
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0016 0.012 0.0077
Brugia malayi follicle stimulating hormone receptor 0.0264 0.2816 1
Echinococcus multilocularis ETS transcription factor Elf 1 0.0012 0.0075 0.0021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0062
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0016 0.012 0.0077
Chlamydia trachomatis methylated-DNA protein-cysteine methyltransferase 0.0275 0.2941 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0054 0.0007
Echinococcus multilocularis lamin 0.0031 0.0279 0.0226
Leishmania major cytochrome p450-like protein 0.0026 0.0229 0.05
Echinococcus multilocularis protein C ets 2 0.0012 0.0075 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0315 0.1178
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0356 0.0799
Brugia malayi DNA-binding protein D-ETS-3 0.0012 0.0075 0.0086
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0123 0.019
Schistosoma mansoni DNA helicase recq1 0.001 0.0054 0.0201
Echinococcus multilocularis geminin 0.0193 0.2046 0.2003
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0075 0.0106
Mycobacterium ulcerans DNA-methyltransferase (modification methylase) 0.0112 0.1163 0.1235
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0075 0.0021
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0279 0.0824
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0016 0.012 0.0077
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0123 0.026
Trichomonas vaginalis set domain proteins, putative 0.027 0.2882 0.9795
Entamoeba histolytica hypothetical protein 0.0102 0.1051 1
Brugia malayi transcription factor E74 isoform 0.0012 0.0075 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0016 0.012 0.0077
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.0124 0.0465
Loa Loa (eye worm) ets-domain-containing protein 0.0012 0.0075 0.0062
Echinococcus granulosus dual specificity 0.0102 0.1051 0.5007
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0016 0.012 0.0077
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0229 0.0464
Echinococcus granulosus bloom syndrome protein 0.0024 0.0209 0.078
Loa Loa (eye worm) cytochrome P450 0.0016 0.012 0.0181
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0315 0.131
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0016 0.012 0.0077
Loa Loa (eye worm) hypothetical protein 0.003 0.0273 0.058
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0279 0.0596
Brugia malayi Pre-SET motif family protein 0.0034 0.0315 0.0954
Entamoeba histolytica protein kinase, putative 0.0102 0.1051 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0016 0.012 0.0077
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.012 0.012
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0016 0.012 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0016 0.012 0.0077
Onchocerca volvulus 0.027 0.2883 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0102 0.1051 0.2613
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0016 0.012 0.0077
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.0123 0.0069
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0084 0.0858 0.0808
Echinococcus granulosus protein C ets 2 0.0012 0.0075 0.0106
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0102 0.1051 0.3381
Trichomonas vaginalis methylated-DNA--protein-cysteine methyltransferase, putative 0.0275 0.2941 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.2525 0.6465
Schistosoma mansoni hypothetical protein 0.0012 0.0075 0.0279
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.001
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.012 0.0317
Echinococcus granulosus intermediate filament protein 0.0031 0.0279 0.113
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0054 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0315 0.1178
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0016 0.012 0.0077
Loa Loa (eye worm) RecQ helicase 0.0024 0.0209 0.0413
Echinococcus granulosus Ankyrin 0.0016 0.0124 0.0354
Echinococcus granulosus death domain containing protein 0.0016 0.0123 0.0347
Schistosoma mansoni lamin 0.0031 0.0279 0.1044
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0016 0.012 0.0077
Loa Loa (eye worm) hypothetical protein 0.0016 0.0123 0.0188
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0016 0.012 0.0077
Mycobacterium tuberculosis Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra 0.0836 0.9053 1
Echinococcus granulosus lamin 0.0031 0.0279 0.113
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0075 0.0106
Loa Loa (eye worm) hypothetical protein 0.0101 0.1045 0.2598
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0123 0.0188
Loa Loa (eye worm) hypothetical protein 0.0016 0.0124 0.0192
Schistosoma mansoni netrin receptor unc5 0.0016 0.0123 0.0459
Schistosoma mansoni cytochrome P450 0.0016 0.012 0.0449
Brugia malayi Fli-1 protein 0.025 0.2671 0.9473
Loa Loa (eye worm) hypothetical protein 0.0361 0.3878 1
Echinococcus granulosus GA binding protein alpha chain 0.0082 0.0842 0.396
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0012 0.0075 0.0062
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0275 0.2941 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.0229 0.0643
Brugia malayi intermediate filament protein 0.0031 0.0279 0.0824
Brugia malayi Cytochrome P450 family protein 0.0026 0.0229 0.0643
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0209 0.0547
Echinococcus granulosus lamin dm0 0.0031 0.0279 0.113
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0006
Echinococcus multilocularis GA binding protein alpha chain 0.0082 0.0842 0.0793
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0209 0.0572
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0301 0.1242
Echinococcus granulosus nuclear factor of activated T cells 5 0.0084 0.0858 0.4036
Loa Loa (eye worm) hypothetical protein 0.0014 0.01 0.0128
Echinococcus granulosus ETS transcription factor Elf 1 0.0012 0.0075 0.0106
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0016 0.012 0.0077
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0275 0.2941 1
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0209 0.0156
Brugia malayi Protein kinase domain containing protein 0.0102 0.1051 0.3617
Echinococcus multilocularis 0.0016 0.012 0.0067
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0016 0.012 0.0077
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0016 0.012 0.0077
Schistosoma mansoni hypothetical protein 0.0012 0.0075 0.0279
Loa Loa (eye worm) hypothetical protein 0.007 0.0712 0.1728
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0121 0.3851
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0016 0.012 0.0077
Plasmodium vivax SET domain protein, putative 0.0034 0.0315 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.0123 0.0347
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0229 0.0464
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.0123 0.0459
Leishmania major cytochrome p450-like protein 0.0016 0.012 0.012
Brugia malayi Uncoordinated protein 44 0.0016 0.0123 0.026
Loa Loa (eye worm) D-ets-2 protein 0.0012 0.0075 0.0062
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0016 0.012 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0016 0.012 0.0077
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.1703
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0153 0.0574
Loa Loa (eye worm) hypothetical protein 0.0031 0.0279 0.0596
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0016 0.012 0.0077
Brugia malayi Protein kinase domain containing protein 0.0017 0.0128 0.028
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0229 0.05
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0315 0.1178
Echinococcus granulosus ewsr:fli fusion protein type 0.0012 0.0075 0.0106
Echinococcus granulosus netrin receptor unc 5 0.0016 0.0123 0.0347
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0315 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1045 0.2598
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0016 0.012 0.0077
Onchocerca volvulus Netrin receptor homolog 0.0016 0.0123 0.0254
Schistosoma mansoni intermediate filament proteins 0.0031 0.0279 0.1044
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0209 0.0547
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.001
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.1051 0.3936
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0054 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0315 0.1178
Mycobacterium leprae PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA 0.0836 0.9053 1
Schistosoma mansoni elf1 0.0012 0.0075 0.0279
Echinococcus multilocularis netrin receptor unc 5 0.0016 0.0123 0.0069
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0082 0.0842 0.2068
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0229 0.0197
Echinococcus granulosus ETS transcription factor Elf 5 0.0012 0.0075 0.0106
Schistosoma mansoni hypothetical protein 0.0016 0.012 0.0449
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0315 0.0262
Leishmania major hypothetical protein, conserved 0.0275 0.2941 1
Echinococcus granulosus geminin 0.0193 0.2046 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0016 0.012 0.3811
Schistosoma mansoni ets-related 0.025 0.2671 1
Schistosoma mansoni ets 0.0012 0.0075 0.0279
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0229 0.1326
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0279 0.0596
Onchocerca volvulus 0.0031 0.0279 0.0805
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0016 0.012 0.0077
Brugia malayi Ets-domain containing protein 0.0082 0.0842 0.2862
Echinococcus multilocularis Ankyrin 0.0016 0.0124 0.0071
Schistosoma mansoni ets-related 0.0012 0.0075 0.0279
Echinococcus granulosus ETS domain containing protein Elk 1 0.0012 0.0075 0.0106
Loa Loa (eye worm) fli-1 protein 0.025 0.2671 0.6845
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0106 0.0262
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0177 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0016 0.012 0.0077
Schistosoma mansoni DNA helicase recq5 0.001 0.0054 0.0201
Brugia malayi Cytochrome P450 family protein 0.0038 0.0356 0.1105
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0016 0.012 0.0077
Brugia malayi Ets-domain containing protein 0.0082 0.0842 0.2862
Brugia malayi cytochrome P450 0.0016 0.012 0.025
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0075 0.0021
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0012 0.0075 0.0062
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0459
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.1163 1
Brugia malayi hypothetical protein 0.0139 0.1454 0.5073
Loa Loa (eye worm) hypothetical protein 0.0034 0.0315 0.0689
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0102 0.1051 0.896
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0062
Onchocerca volvulus 0.0031 0.0279 0.0805
Loa Loa (eye worm) hypothetical protein 0.0014 0.01 0.0128
Treponema pallidum methylated-DNA-protein-cysteine S-methyltransferase (dat) 0.0275 0.2941 0.5
Schistosoma mansoni lamin 0.0031 0.0279 0.1044
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.012 0.012
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0229 0.05
Schistosoma mansoni hypothetical protein 0.0193 0.2046 0.766
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0016 0.012 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0016 0.012 0.0077
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0264 0.2816 0.7226
Brugia malayi Ets-domain containing protein 0.0012 0.0075 0.0086
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0016 0.012 0.0077

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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