Detailed information for compound 1002101

Basic information

Technical information
  • TDR Targets ID: 1002101
  • Name: N-(3-hexoxyphenyl)piperidine-3-carboxamide
  • MW: 304.427 | Formula: C18H28N2O2
  • H donors: 2 H acceptors: 1 LogP: 3.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCOc1cccc(c1)NC(=O)C1CCCNC1
  • InChi: 1S/C18H28N2O2/c1-2-3-4-5-12-22-17-10-6-9-16(13-17)20-18(21)15-8-7-11-19-14-15/h6,9-10,13,15,19H,2-5,7-8,11-12,14H2,1H3,(H,20,21)
  • InChiKey: FZRHJSVWTLBDEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-hexoxyphenyl)-3-piperidinecarboxamide
  • N-(3-hexoxyphenyl)nipecotamide

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
Plasmodium falciparum importin beta, putative 0.0029 0.0334 0.0473
Brugia malayi Importin beta-1 subunit 0.0029 0.0334 0.0334
Loa Loa (eye worm) transcription factor SMAD2 0.027 0.7648 0.7648
Loa Loa (eye worm) thioredoxin reductase 0.0107 0.2691 0.2691
Echinococcus granulosus snurportin 1 0.0314 0.8974 0.8974
Brugia malayi Pre-SET motif family protein 0.0033 0.0431 0.0431
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0068 0.1512 0.2836
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0985 0.0985
Onchocerca volvulus 0.0038 0.0605 0.0255
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.1512 0.2836
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0037 0.0567 0.0941
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0244 0.6856 0.8837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.084 0.084
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0244 0.6856 0.8837
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.084 0.084
Giardia lamblia NADH oxidase lateral transfer candidate 0.0037 0.0567 0.0941
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0037 0.0567 0.0941
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0027 0.0268 0.0268
Echinococcus granulosus sodium:glucose cotransporter 2 0.0038 0.0605 0.0605
Leishmania major phosphoglycerate kinase B, cytosolic 0.0186 0.5083 1
Schistosoma mansoni phosphoglycerate kinase 0.0186 0.5083 0.5083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.084 0.084
Leishmania major phosphoglycerate kinase C, glycosomal 0.0186 0.5083 1
Trichomonas vaginalis set domain proteins, putative 0.0258 0.7294 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0037 0.0567 0.0941
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0186 0.5083 0.6347
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Echinococcus multilocularis thioredoxin glutathione reductase 0.0107 0.2691 0.2691
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0271 0.7683 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0244 0.6856 0.6817
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0037 0.0567 0.0567
Loa Loa (eye worm) hypothetical protein 0.0347 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0244 0.6856 0.8837
Plasmodium vivax importin-beta 2, putative 0.0029 0.0334 0.0473
Brugia malayi Pre-SET motif family protein 0.0227 0.6341 0.6341
Chlamydia trachomatis phosphoglycerate kinase 0.0186 0.5083 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0027 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0173 0.4689 0.4689
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0037 0.0567 0.0567
Loa Loa (eye worm) hypothetical protein 0.0038 0.0605 0.0605
Leishmania major trypanothione reductase 0.0107 0.2691 0.5202
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0037 0.0567 0.0941
Brugia malayi MH2 domain containing protein 0.027 0.7648 0.7648
Schistosoma mansoni ran 0.0022 0.0098 0.0098
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0334 0.0473
Trypanosoma cruzi trypanothione reductase, putative 0.0107 0.2691 0.5202
Loa Loa (eye worm) hypothetical protein 0.0051 0.0985 0.0985
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0431 0.0431
Plasmodium falciparum phosphoglycerate kinase 0.0186 0.5083 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0037 0.0567 0.0941
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0098 0.0098
Plasmodium falciparum glutathione reductase 0.0037 0.0567 0.0941
Mycobacterium tuberculosis Probable reductase 0.0244 0.6856 0.8837
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0334 0.0473
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0186 0.5083 1
Echinococcus multilocularis geminin 0.0173 0.4689 0.4689
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.8974 0.8974
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0038 0.0605 0.1018
Loa Loa (eye worm) hypothetical protein 0.0033 0.0431 0.0431
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0037 0.0567 0.0941
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0098 0.0098
Echinococcus multilocularis high affinity choline transporter 1 0.0347 1 1
Schistosoma mansoni high-affinity choline transporter 0.0347 1 1
Treponema pallidum phosphoglycerate kinase 0.0186 0.5083 1
Schistosoma mansoni ran 0.0022 0.0098 0.0098
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0107 0.2691 0.2985
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.6341 0.6341
Echinococcus granulosus solute carrier family 5 0.0038 0.0605 0.0605
Entamoeba histolytica hypothetical protein 0.0024 0.0165 0.0134
Schistosoma mansoni hypothetical protein 0.0173 0.4689 0.4689
Onchocerca volvulus 0.0258 0.7294 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0186 0.5083 0.5083
Trichomonas vaginalis glutathione reductase, putative 0.0037 0.0567 0.0652
Mycobacterium ulcerans phosphoglycerate kinase 0.0186 0.5083 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0334 0.0334
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.084 0.084
Echinococcus granulosus phosphoglycerate kinase 1 0.0186 0.5083 0.5083
Echinococcus multilocularis snurportin 1 0.0314 0.8974 0.8974
Echinococcus granulosus thioredoxin glutathione reductase 0.0107 0.2691 0.2691
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0431 0.0431
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0431 0.0431
Plasmodium falciparum thioredoxin reductase 0.0107 0.2691 0.5202
Loa Loa (eye worm) glutathione reductase 0.0107 0.2691 0.2691
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0038 0.0605 0.0605
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0334 0.0334
Toxoplasma gondii NADPH-glutathione reductase 0.0037 0.0567 0.0941
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0186 0.5083 1
Brugia malayi glutathione reductase 0.0107 0.2691 0.2691
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0334 0.0473
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0271 0.7683 1
Schistosoma mansoni inositol transporter 0.0038 0.0605 0.0605
Trypanosoma brucei trypanothione reductase 0.0107 0.2691 0.5202
Mycobacterium tuberculosis Probable dehydrogenase 0.0244 0.6856 0.8837
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0098 0.0098
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0165 0.0093
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0165 0.0134
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0186 0.5083 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0394 0.0394
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0038 0.0605 0.0605
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0985 0.0985
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0037 0.0567 0.0941
Plasmodium falciparum glutathione reductase 0.0107 0.2691 0.5202
Schistosoma mansoni inositol transporter 0.0038 0.0605 0.0605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.084 0.084
Entamoeba histolytica phosphoglycerate kinase, putative 0.0186 0.5083 1
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0038 0.0605 0.0605
Schistosoma mansoni hypothetical protein 0.0035 0.0496 0.0496
Brugia malayi Phosphoglycerate kinase 0.0186 0.5083 0.5083
Brugia malayi Sodium:solute symporter family protein 0.0038 0.0605 0.0605
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0037 0.0567 0.0567
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0244 0.6856 0.8837
Leishmania major importin beta-1 subunit, putative 0.0024 0.0165 0.0134
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0496 0.0496
Brugia malayi Thioredoxin reductase 0.0107 0.2691 0.2691
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0431 0.0667
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0068 0.1512 0.2836
Trypanosoma brucei phosphoglycerate kinase 0.0186 0.5083 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0431 0.0431
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0431 0.0431
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0271 0.7683 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0186 0.5083 0.6928
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Plasmodium vivax SET domain protein, putative 0.0033 0.0431 0.0667
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0037 0.0567 0.0941
Echinococcus granulosus importin subunit beta 1 0.0029 0.0334 0.0334
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0037 0.0567 0.0941
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0186 0.5083 1
Brugia malayi RNA, U transporter 1 0.0084 0.198 0.198
Schistosoma mansoni phosphoglycerate kinase 0.0186 0.5083 0.5083
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0165 0.0093
Plasmodium vivax thioredoxin reductase, putative 0.0107 0.2691 0.5202
Echinococcus granulosus sodium:myo inositol cotransporter 0.0038 0.0605 0.0605
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0567 0.0941
Brugia malayi Phosphoglycerate kinase 0.0068 0.1512 0.1512
Plasmodium vivax glutathione reductase, putative 0.0107 0.2691 0.5202
Loa Loa (eye worm) MH2 domain-containing protein 0.027 0.7648 0.7648
Trypanosoma brucei phosphoglycerate kinase 0.0068 0.1512 0.2836
Echinococcus granulosus geminin 0.0173 0.4689 0.4689
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.1512 0.2836
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0985 0.0985
Echinococcus multilocularis solute carrier family 5 0.0038 0.0605 0.0605
Toxoplasma gondii thioredoxin reductase 0.0107 0.2691 0.5202
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0037 0.0567 0.0941
Plasmodium falciparum thioredoxin reductase 0.0037 0.0567 0.0941
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0038 0.0605 0.0605
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Schistosoma mansoni importin beta-1 0.0029 0.0334 0.0334
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0165 0.0093
Trypanosoma brucei phosphoglycerate kinase 0.0186 0.5083 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0037 0.0567 0.0941
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0037 0.0567 0.0941
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0186 0.5083 0.6928
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0037 0.0567 0.0941
Echinococcus granulosus sodium:glucose cotransporter 0.0038 0.0605 0.0605
Schistosoma mansoni sodium/solute symporter 0.0038 0.0605 0.0605
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.084 0.084
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0431 0.0431
Trichomonas vaginalis mercuric reductase, putative 0.0037 0.0567 0.0652
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.084 0.084
Giardia lamblia Phosphoglycerate kinase 0.0186 0.5083 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0271 0.7683 1
Echinococcus granulosus high affinity choline transporter 1 0.0347 1 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0068 0.1512 0.2836
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0186 0.5083 1
Schistosoma mansoni hypothetical protein 0.0314 0.8974 0.8974
Plasmodium vivax phosphoglycerate kinase, putative 0.0186 0.5083 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.084 0.084
Trypanosoma brucei phosphoglycerate kinase, putative 0.0068 0.1512 0.2836
Loa Loa (eye worm) hypothetical protein 0.0035 0.0496 0.0496
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0037 0.0567 0.0941
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.084 0.084
Loa Loa (eye worm) hypothetical protein 0.0186 0.5083 0.5083
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0037 0.0567 0.0567
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.1512 0.2836
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0431 0.0431
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0098 0.0098

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 30 % Inhibition of human factor 10a at 250 uM by amydolitic assay ChEMBL. 19193009
Inhibition (binding) < 30 % Inhibition of bovine factor 2a at 250 uM by amydolitic assay ChEMBL. 19193009

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

1 literature reference was collected for this gene.

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