Detailed information for compound 722533

Basic information

Technical information
  • TDR Targets ID: 722533
  • Name: 3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl] butanamide
  • MW: 274.401 | Formula: C17H26N2O
  • H donors: 1 H acceptors: 1 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)c1ccc(cc1)NC(=O)CC(C)C
  • InChi: 1S/C17H26N2O/c1-13(2)12-17(20)18-15-4-6-16(7-5-15)19-10-8-14(3)9-11-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)
  • InChiKey: GHJYUSLXYLCFSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-N-[4-(4-methyl-1-piperidyl)phenyl]butanamide
  • 3-methyl-N-[4-(4-methyl-1-piperidinyl)phenyl]butanamide
  • 3-methyl-N-[4-(4-methyl-1-piperidyl)phenyl]butyramide
  • STK255200
  • ZINC00559765

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
Loa Loa (eye worm) glutathione reductase 0.0055 0.0462 0.113
Plasmodium falciparum thioredoxin reductase 0.0055 0.0462 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.013 0.2921 0.8963
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.3265 0.6736
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.28 0.5619
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.28 0.5619
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.1975 0.5905
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.3265 0.6736
Loa Loa (eye worm) hypothetical protein 0.009 0.1597 0.3902
Loa Loa (eye worm) hypothetical protein 0.01 0.1927 0.4709
Loa Loa (eye worm) hypothetical protein 0.0165 0.4092 1
Brugia malayi Thioredoxin reductase 0.0055 0.0462 0.0553
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.2921 0.6436
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.28 0.5619
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.28 0.5619
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0345 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0053 0.0376 0.0739
Schistosoma mansoni hypothetical protein 0.0048 0.0229 0.0189
Mycobacterium tuberculosis Probable reductase 0.0126 0.28 0.5619
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.013 0.2921 0.2578
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 1 1
Brugia malayi Bromodomain containing protein 0.0175 0.4422 1
Trypanosoma brucei trypanothione reductase 0.0055 0.0462 0.0233
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0053 0.0376 0.0531
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.3265 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.4015 0.3871
Brugia malayi Bromodomain containing protein 0.009 0.1591 0.3247
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.1975 0.4161
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.013 0.2921 0.8963
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0462 0.1018
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0084 0.1409 0.4076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1975 0.424
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.023 0.0563
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.28 0.5619
Toxoplasma gondii hypothetical protein 0.0056 0.047 0.0032
Loa Loa (eye worm) hypothetical protein 0.0095 0.1779 0.4348
Mycobacterium tuberculosis Conserved hypothetical protein 0.0182 0.4623 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0585 0.0358
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0462 0.113
Echinococcus granulosus fetal alzheimer antigen falz 0.0053 0.0376 0.0739
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0462 0.0233
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.013 0.2921 0.591
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.014 0.3242 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0462 0.1018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1975 0.424
Plasmodium falciparum glutathione reductase 0.0055 0.0462 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.3265 0.6736
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.1975 0.5905
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.4015 0.3725
Toxoplasma gondii aldehyde dehydrogenase 0.013 0.2921 1
Mycobacterium ulcerans hypothetical protein 0.0182 0.4623 1
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0462 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.1975 0.5905
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.2921 0.6436
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1975 0.424
Brugia malayi PHD-finger family protein 0.0058 0.0559 0.0783
Loa Loa (eye worm) PHD-finger family protein 0.0048 0.0229 0.0559
Plasmodium vivax glutathione reductase, putative 0.0055 0.0462 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.023 0.0563
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.1975 0.5905
Schistosoma mansoni bromodomain containing protein 0.0148 0.3518 0.7821
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.1975 0.4825
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.014 0.3242 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0084 0.1409 0.4076
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.4015 0.3871
Brugia malayi glutathione reductase 0.0055 0.0462 0.0553

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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