Detailed information for compound 1463677

Basic information

Technical information
  • TDR Targets ID: 1463677
  • Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylm ethyl)piperidin-1-yl]propan-2-ol
  • MW: 383.481 | Formula: C23H29NO4
  • H donors: 1 H acceptors: 1 LogP: 3.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCC(CC1)Cc1ccccc1)COCc1ccc2c(c1)OCO2
  • InChi: 1S/C23H29NO4/c25-21(16-26-15-20-6-7-22-23(13-20)28-17-27-22)14-24-10-8-19(9-11-24)12-18-4-2-1-3-5-18/h1-7,13,19,21,25H,8-12,14-17H2
  • InChiKey: FZCWXCPDCWLVDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1-piperidyl]propan-2-ol
  • 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1-piperidinyl]propan-2-ol
  • 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(benzyl)-1-piperidyl]propan-2-ol
  • CBMicro_048349
  • Oprea1_639436

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
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.7804 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0618 0.0784
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2643 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.6948 0.8837
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0618 0.234
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0618 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0446 0.1689
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0137 0.0519
Plasmodium falciparum thioredoxin reductase 0.0049 0.2643 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0618 0.0784
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0618 0.0784
Leishmania major trypanothione reductase 0.0049 0.2643 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.2643 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2643 0.2985
Schistosoma mansoni ap endonuclease 0.002 0.0618 0.0618
Schistosoma mansoni ap endonuclease 0.002 0.0618 0.0618
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0618 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0446 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2643 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0446 0.0446
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.6948 0.8837
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0618 0.0784
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.6948 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0446 0.1689
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0618 0.0784
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0618 0.234
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.7804 1
Trypanosoma brucei trypanothione reductase 0.0049 0.2643 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0618 0.5
Plasmodium falciparum glutathione reductase 0.0049 0.2643 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2643 1
Brugia malayi glutathione reductase 0.0049 0.2643 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.7804 1
Brugia malayi Thioredoxin reductase 0.0049 0.2643 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0618 0.0234
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0618 0.234
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0137 0.0519
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.6948 0.8837
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0618 1
Toxoplasma gondii exonuclease III APE 0.002 0.0618 0.0784
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0618 0.234
Toxoplasma gondii thioredoxin reductase 0.0049 0.2643 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0618 0.0784
Onchocerca volvulus Bile acid receptor homolog 0.0011 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0618 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.6948 0.8837
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0 0.5
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0446 0.1689
Plasmodium vivax glutathione reductase, putative 0.0049 0.2643 1
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2643 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0618 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0618 1
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2643 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.7804 1
Onchocerca volvulus 0.0011 0 0.5
Mycobacterium tuberculosis Probable reductase 0.0112 0.6948 0.8837

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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