Detailed information for compound 1470596

Basic information

Technical information
  • TDR Targets ID: 1470596
  • Name: 1-tert-butyl-2,3-dimethylpiperidin-4-one
  • MW: 183.291 | Formula: C11H21NO
  • H donors: 0 H acceptors: 1 LogP: 1.71 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCN(C(C1C)C)C(C)(C)C
  • InChi: 1S/C11H21NO/c1-8-9(2)12(11(3,4)5)7-6-10(8)13/h8-9H,6-7H2,1-5H3
  • InChiKey: IIDIYWNNDKQFOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-tert-butyl-2,3-dimethyl-piperidin-4-one
  • 1-tert-butyl-2,3-dimethyl-4-piperidinone
  • 1-tert-butyl-2,3-dimethyl-4-piperidone
  • Piperidin-4-one, 1-tert-butyl-2,3-dimethyl-
  • TimTec1_006224
  • ZERO/005046

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4004 0.4575
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0543 0.062
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0543 0.062
Mycobacterium leprae Conserved hypothetical protein 0.0029 0.2068 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.4004 0.4004
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0543 0.062
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0089 0.8751 0.8751
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0543 0.062
Loa Loa (eye worm) hypothetical protein 0.0089 0.8751 0.8751
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4004 0.4575
Plasmodium falciparum amino acid transporter, putative 0.0015 0.0543 0.5
Trypanosoma brucei cytochrome P450, putative 0.01 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0029 0.2068 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0029 0.2068 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Onchocerca volvulus 0.0015 0.0543 0.062
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0029 0.2068 0.5
Echinococcus multilocularis 0.0029 0.2068 0.2363
Trypanosoma cruzi cytochrome P450, putative 0.01 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4004 0.4575
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4004 0.4575
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Onchocerca volvulus 0.0089 0.8751 1
Brugia malayi Cytochrome P450 family protein 0.01 1 1
Brugia malayi hypothetical protein 0.0015 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Schistosoma mansoni cytochrome P450 0.0029 0.2068 0.2363
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0029 0.2068 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0543 0.0543
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0543 0.0543
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0029 0.2068 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0029 0.2068 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0543 0.062
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0029 0.2068 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0089 0.8751 0.8751
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0543 0.062
Schistosoma mansoni hypothetical protein 0.0029 0.2068 0.2363
Loa Loa (eye worm) CYP4Cod1 0.01 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4004 0.4575
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0543 0.062
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.2068 0.2068
Onchocerca volvulus 0.0015 0.0543 0.062
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0543 0.062
Brugia malayi cytochrome P450 0.0029 0.2068 0.2068
Treponema pallidum sodium- and chloride- dependent transporter 0.0089 0.8751 0.5
Trypanosoma cruzi cytochrome P450, putative 0.01 1 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.2068 0.2068
Leishmania major cytochrome p450-like protein 0.01 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0543 0.062
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0029 0.2068 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0543 0.062
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0543 0.0543
Onchocerca volvulus 0.0015 0.0543 0.062
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0543 0.062
Toxoplasma gondii cytochrome p450 superfamily protein 0.0029 0.2068 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0029 0.2068 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.0015 0.0543 0.062
Echinococcus multilocularis serotonin transporter 0.0089 0.8751 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0543 0.0543
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0543 0.062
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0029 0.2068 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0089 0.8751 0.8751
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4004 0.4575
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0029 0.2068 0.5
Loa Loa (eye worm) cytochrome P450 0.0029 0.2068 0.2068
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0015 0.0543 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.2068 0.2068
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0029 0.2068 0.5
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0029 0.2068 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0029 0.2068 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4004 0.4575
Loa Loa (eye worm) hypothetical protein 0.0071 0.6796 0.6796
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.01 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0089 0.8751 1
Loa Loa (eye worm) serotonin transporter b 0.0089 0.8751 0.8751
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0015 0.0543 0.062
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0029 0.2068 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0015 0.0543 0.062
Loa Loa (eye worm) solute carrier family 6 member 4 0.0089 0.8751 0.8751
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0029 0.2068 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0029 0.2068 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0015 0.0543 0.0543
Loa Loa (eye worm) cytochrome P450 family protein 0.01 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0029 0.2068 0.5
Echinococcus granulosus serotonin transporter 0.0089 0.8751 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0015 0.0543 0.062
Plasmodium falciparum transporter, putative 0.0015 0.0543 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0015 0.0543 0.062
Echinococcus granulosus cytochrome P450 2K1 0.0029 0.2068 0.2363
Plasmodium vivax amine transporter, putative 0.0015 0.0543 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0543 0.062
Mycobacterium leprae putative cytochrome p450 0.0029 0.2068 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0543 0.062
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.4004 0.4004
Plasmodium vivax hypothetical protein, conserved 0.0015 0.0543 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0089 0.8751 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0543 0.062
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0029 0.2068 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.8751 0.8751
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0029 0.2068 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0015 0.0543 0.062
Loa Loa (eye worm) cytochrome P450 family protein 0.01 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0543 0.0543
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0543 0.062

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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