Detailed information for compound 797989

Basic information

Technical information
  • TDR Targets ID: 797989
  • Name: 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylami no]-4-oxobutanoic acid
  • MW: 333.422 | Formula: C19H27NO4
  • H donors: 2 H acceptors: 3 LogP: 2.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)O)NCCC1(CCOC(C1)(C)C)c1ccccc1
  • InChi: 1S/C19H27NO4/c1-18(2)14-19(11-13-24-18,15-6-4-3-5-7-15)10-12-20-16(21)8-9-17(22)23/h3-7H,8-14H2,1-2H3,(H,20,21)(H,22,23)
  • InChiKey: LRLCVRAFFOKFPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethylamino]-4-oxo-butanoic acid
  • 4-[2-(2,2-dimethyl-4-phenyl-4-tetrahydropyranyl)ethylamino]-4-oxobutanoic acid
  • 4-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethylamino]-4-keto-butyric acid
  • 4-[2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethylamino]-4-oxo-butanoic acid
  • STOCK1N-21345
  • A2806/0118621

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
Brugia malayi MH1 domain containing protein 0.0068 0.0178 0.0204
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0399 0.9191
Schistosoma mansoni hypothetical protein 0.0135 0.0572 0.2267
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.0178 0.0204
Loa Loa (eye worm) hypothetical protein 0.0154 0.0683 0.078
Brugia malayi beta-lactamase 0.004 0.0012 0.0013
Trypanosoma cruzi ISWI complex protein 0.0111 0.0433 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0307 0.035
Loa Loa (eye worm) hypothetical protein 0.0053 0.0091 0.0104
Schistosoma mansoni hypothetical protein 0.0149 0.0658 0.2613
Trypanosoma cruzi ISWI complex protein 0.0111 0.0433 1
Entamoeba histolytica hypothetical protein 0.0076 0.0225 0.5
Schistosoma mansoni chromobox protein 0.0074 0.0216 0.0825
Echinococcus multilocularis zinc finger protein 0.0142 0.0616 0.2605
Trypanosoma brucei ISWI complex protein 0.0111 0.0433 1
Echinococcus multilocularis chromobox protein 1 0.0074 0.0216 0.088
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.0965 0.1101
Schistosoma mansoni smad 0.0068 0.0178 0.0674
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0012 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.0965 0.1101
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0149 0.0658 0.2785
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0225 0.0919
Brugia malayi PHD-finger family protein 0.009 0.0307 0.035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0219 0.1067 0.4269
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.1265 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0124 0.0508 0.2008
Loa Loa (eye worm) bromodomain containing protein 0.0128 0.0534 0.061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0472 0.2556 0.2918
Loa Loa (eye worm) MH2 domain-containing protein 0.0997 0.5637 0.6436
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0965 0.3854
Schistosoma mansoni hypothetical protein 0.0149 0.0658 0.2613
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0211 0.102 0.4346
Loa Loa (eye worm) jmjC domain-containing protein 0.0122 0.0499 0.057
Schistosoma mansoni zinc finger protein 0.0142 0.0616 0.2444
Loa Loa (eye worm) hypothetical protein 0.0149 0.0658 0.0751
Plasmodium vivax SET domain protein, putative 0.0219 0.1067 1
Loa Loa (eye worm) PHD-finger family protein 0.015 0.0661 0.0755
Echinococcus granulosus lysine specific demethylase 5A 0.0122 0.0499 0.2101
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0043 0.0031
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0216 0.0204
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0024 0.0012
Schistosoma mansoni smad1 5 8 and 0.0068 0.0178 0.0674
Echinococcus multilocularis mothers against decapentaplegic 5 0.0068 0.0178 0.0718
Giardia lamblia PHD finger protein 15 0.009 0.0307 0.5
Brugia malayi jmjC domain containing protein 0.0294 0.1506 0.172
Echinococcus granulosus methyl CpG binding domain protein 2 0.0124 0.0508 0.214
Loa Loa (eye worm) hypothetical protein 0.0514 0.2802 0.3199
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0965 0.3854
Brugia malayi beta-lactamase family protein 0.004 0.0012 0.0013
Echinococcus multilocularis Smad4 0.0068 0.0178 0.0718
Brugia malayi TAR-binding protein 0.0202 0.0965 0.1101
Mycobacterium leprae Probable lipase LipE 0.004 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0012 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0965 0.3854
Brugia malayi hypothetical protein 0.0105 0.0399 0.0456
Brugia malayi hypothetical protein 0.0068 0.0179 0.0205
Brugia malayi latrophilin 2 splice variant baaae 0.0323 0.1677 0.1915
Loa Loa (eye worm) hypothetical protein 0.031 0.1602 0.1829
Echinococcus granulosus GPCR family 2 0.0149 0.0658 0.2785
Loa Loa (eye worm) hypothetical protein 0.004 0.0012 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0231 0.1139 0.4558
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0164 0.0743 0.2957
Loa Loa (eye worm) latrophilin receptor protein 2 0.0149 0.0658 0.0751
Loa Loa (eye worm) hypothetical protein 0.0472 0.2556 0.2918
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0043 0.0031
Schistosoma mansoni zinc finger protein 0.0111 0.0433 0.1704
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0343 0.1796 0.7694
Toxoplasma gondii LsmAD domain-containing protein 0.0105 0.0399 0.367
Echinococcus granulosus zinc finger protein 0.0142 0.0616 0.2605
Schistosoma mansoni Smad4 0.0068 0.0178 0.0674
Loa Loa (eye worm) hypothetical protein 0.004 0.0012 0.0013
Schistosoma mansoni bromodomain containing protein 0.046 0.2484 1
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0225 0.0862
Loa Loa (eye worm) hypothetical protein 0.004 0.0012 0.0013
Loa Loa (eye worm) jmjC domain-containing protein 0.0185 0.0868 0.0991
Brugia malayi Pre-SET motif family protein 0.1528 0.8759 1
Brugia malayi MH2 domain containing protein 0.0068 0.0178 0.0204
Loa Loa (eye worm) beta-lactamase 0.004 0.0012 0.0013
Echinococcus multilocularis jumonji domain containing protein 0.0125 0.0513 0.2161
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0965 0.3854
Schistosoma mansoni chromobox protein 0.0074 0.0216 0.0825
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0965 0.3854
Echinococcus granulosus histone lysine methyltransferase setb 0.0343 0.1796 0.7694
Brugia malayi Bromodomain containing protein 0.0545 0.2985 0.3408
Echinococcus granulosus tumor protein p63 0.0362 0.1908 0.8176
Schistosoma mansoni smad1 5 8 and 0.0068 0.0178 0.0674
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0012 0.0013
Echinococcus multilocularis GPCR, family 2 0.0149 0.0658 0.2785
Echinococcus granulosus jumonji domain containing protein 0.0125 0.0513 0.2161
Brugia malayi PHD-finger family protein 0.0043 0.0033 0.0038
Mycobacterium ulcerans beta-lactamase 0.004 0.0012 0.5
Brugia malayi Heterochromatin protein 1 0.0074 0.0216 0.0246
Echinococcus granulosus tar DNA binding protein 0.0202 0.0965 0.4108
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0216 0.0246
Brugia malayi Latrophilin receptor protein 2 0.0149 0.0658 0.0751
Entamoeba histolytica hypothetical protein 0.0076 0.0225 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0434 0.2331 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.0057 0.0196
Brugia malayi jmjC domain containing protein 0.0122 0.0499 0.057
Brugia malayi Bromodomain containing protein 0.0279 0.1416 0.1617
Echinococcus multilocularis smad 0.0068 0.0178 0.0718
Plasmodium vivax hypothetical protein, conserved 0.009 0.0307 0.2793
Brugia malayi Pre-SET motif family protein 0.0219 0.1067 0.1218
Schistosoma mansoni hypothetical protein 0.0047 0.0057 0.0184
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0399 1
Echinococcus multilocularis peregrin 0.0107 0.0408 0.1707
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0343 0.1796 0.7217
Loa Loa (eye worm) hypothetical protein 0.0042 0.0024 0.0027
Trichomonas vaginalis set domain proteins, putative 0.1739 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0012 0.0013
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0399 1
Onchocerca volvulus Alhambra homolog 0.009 0.0307 0.0295
Onchocerca volvulus 0.0231 0.1139 0.1128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0343 0.1796 0.7217
Loa Loa (eye worm) hypothetical protein 0.0105 0.0399 0.0456
Schistosoma mansoni hypothetical protein 0.009 0.0307 0.1192
Loa Loa (eye worm) TAR-binding protein 0.0202 0.0965 0.1101
Echinococcus multilocularis lysine specific demethylase 5A 0.0109 0.0418 0.1749
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0043 0.0031 0.0083
Plasmodium vivax ataxin-2 like protein, putative 0.0105 0.0399 0.367
Entamoeba histolytica hypothetical protein 0.0076 0.0225 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0399 0.9191
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0261 0.1315 0.562
Echinococcus granulosus smad 0.0068 0.0178 0.0718
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0149 0.0658 0.2785
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0135 0.0572 0.2417
Loa Loa (eye worm) hypothetical protein 0.0296 0.1521 0.1736
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0043 0.0031
Schistosoma mansoni jumonji/arid domain-containing protein 0.0122 0.0499 0.1971
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.0057 0.0196
Schistosoma mansoni hypothetical protein 0.0076 0.0225 0.0862
Brugia malayi hypothetical protein 0.0076 0.0225 0.0257
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0225 0.0919
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0164 0.0743 0.3152
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0149 0.0658 0.2785
Mycobacterium leprae conserved hypothetical protein 0.004 0.0012 0.5
Schistosoma mansoni hypothetical protein 0.015 0.0661 0.2627
Echinococcus granulosus peregrin 0.0107 0.0408 0.1707
Loa Loa (eye worm) Smad1 0.0068 0.0178 0.0204
Leishmania major hypothetical protein, conserved 0.0105 0.0399 0.9191
Echinococcus granulosus chromobox protein 1 0.0074 0.0216 0.088
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0012 0.5
Schistosoma mansoni thyroid hormone receptor 0.0146 0.0636 0.2525
Echinococcus granulosus fetal alzheimer antigen falz 0.0164 0.0743 0.3152
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.0636 0.2691
Echinococcus multilocularis PHD finger protein rhinoceros 0.009 0.0307 0.1271
Brugia malayi PHD-finger family protein 0.0181 0.0844 0.0964
Toxoplasma gondii PHD-finger domain-containing protein 0.009 0.0307 0.2793
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0216 0.0204
Loa Loa (eye worm) PHD-finger family protein 0.009 0.0307 0.035
Toxoplasma gondii PHD-finger domain-containing protein 0.009 0.0307 0.2793
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0294 0.1506 0.6444
Brugia malayi Bromodomain containing protein 0.0107 0.0408 0.0466
Mycobacterium ulcerans hypothetical protein 0.004 0.0012 0.5
Schistosoma mansoni jumonji domain containing protein 0.0233 0.1151 0.4609
Loa Loa (eye worm) hypothetical protein 0.0343 0.1796 0.2051
Brugia malayi MH2 domain containing protein 0.0997 0.5637 0.6436
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0472 0.2556 0.2918
Brugia malayi Smad1 0.0068 0.0178 0.0204
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0219 0.1067 1
Echinococcus granulosus PHD finger protein rhinoceros 0.009 0.0307 0.1271
Brugia malayi beta-lactamase family protein 0.004 0.0012 0.0013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0261 0.1315 0.562
Schistosoma mansoni thyroid hormone receptor 0.0146 0.0636 0.2525
Schistosoma mansoni methyl-cpg binding protein mbd 0.0124 0.0508 0.2008
Leishmania major hypothetical protein, conserved 0.0111 0.0433 1
Brugia malayi RNA binding protein 0.0202 0.0965 0.1101
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0149 0.0658 0.0751
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1528 0.8759 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0068 0.0178 0.0674
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.009 0.0307 0.1192
Brugia malayi MH1 domain containing protein 0.0068 0.0178 0.0204
Schistosoma mansoni hypothetical protein 0.0149 0.0658 0.2613
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0091 0.032
Loa Loa (eye worm) MH1 domain-containing protein 0.0068 0.0178 0.0204
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0219 0.1067 0.4551
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0038
Echinococcus multilocularis tumor protein p63 0.0362 0.1908 0.8176
Echinococcus granulosus mothers against decapentaplegic 5 0.0068 0.0178 0.0718
Onchocerca volvulus 0.0053 0.0091 0.0079
Brugia malayi F/Y-rich N-terminus family protein 0.0051 0.0081 0.0092
Brugia malayi MH2 domain containing protein 0.0068 0.0178 0.0204
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0043 0.0031 0.0083
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0434 0.2331 1
Echinococcus granulosus chromobox protein 1 0.0074 0.0216 0.088
Loa Loa (eye worm) RNA binding protein 0.0202 0.0965 0.1101
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0012 0.0013
Echinococcus multilocularis tar DNA binding protein 0.0202 0.0965 0.4108
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0135 0.0572 0.2417
Loa Loa (eye worm) transcription factor SMAD2 0.0997 0.5637 0.6436
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0149 0.0658 0.2785
Entamoeba histolytica hypothetical protein 0.0076 0.0225 0.5
Brugia malayi chromobox protein homolog 3 0.0042 0.0024 0.0027
Mycobacterium ulcerans lipase LipD 0.004 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0323 0.1677 0.1915
Schistosoma mansoni hypothetical protein 0.0323 0.1677 0.6736
Echinococcus granulosus TGF beta signal transducer SmadC 0.0068 0.0178 0.0718
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0294 0.1506 0.6444
Brugia malayi Calcitonin receptor-like protein seb-1 0.0472 0.2556 0.2918
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0068 0.0178 0.0718
Schistosoma mansoni hypothetical protein 0.0111 0.0433 0.1704
Schistosoma mansoni hypothetical protein 0.0149 0.0658 0.2613
Loa Loa (eye worm) hypothetical protein 0.004 0.0012 0.0013
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0024 0.0012
Echinococcus multilocularis chromobox protein 1 0.0074 0.0216 0.088
Schistosoma mansoni smad1 5 8 and 0.0068 0.0178 0.0674
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0024 0.0012
Loa Loa (eye worm) hypothetical protein 0.0279 0.1419 0.162
Schistosoma mansoni jumonji/arid domain-containing protein 0.0122 0.0499 0.1971
Trypanosoma brucei PAB1-binding protein , putative 0.0105 0.0399 0.9191
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0124 0.0508 0.214
Echinococcus granulosus Smad4 0.0068 0.0178 0.0718

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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