Detailed information for compound 1440707

Basic information

Technical information
  • TDR Targets ID: 1440707
  • Name: 4-piperidin-1-ylbenzaldehyde
  • MW: 189.254 | Formula: C12H15NO
  • H donors: 0 H acceptors: 1 LogP: 2.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc(cc1)N1CCCCC1
  • InChi: 1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
  • InChiKey: ILJVPSVCFVQUAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-piperidyl)benzaldehyde
  • 4-piperidinobenzaldehyde
  • 10338-57-5
  • SBB010803
  • ZINC00323219
  • MLS000693674
  • SMR000285407
  • NSC156549
  • 4-Piperidin-1-yl-benzaldehyde
  • BAS 03049459
  • 1-(4-Formylphenyl)piperidine
  • 4-(1-Piperidinyl)benzaldehyde
  • 678953_ALDRICH

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) matrix metalloproteinase 0.1632 0.2663 0.4029
Schistosoma mansoni tyrosine kinase 0.0404 0.0568 0.1439
Schistosoma mansoni tyrosine kinase 0.04 0.0561 0.1421
Echinococcus multilocularis insulin receptor 0.024 0.0289 0.0285
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0056 0.0084
Onchocerca volvulus 0.1632 0.2663 0.4358
Brugia malayi hypothetical protein 0.0475 0.0689 0.1042
Loa Loa (eye worm) matrixin family protein 0.3621 0.6053 0.9158
Loa Loa (eye worm) matrixin family protein 0.3947 0.661 1
Mycobacterium ulcerans hydrolase 0.1988 0.327 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0097 0.0045 0.0068
Schistosoma mansoni microtubule-associated protein tau 0.1385 0.2241 0.5677
Schistosoma mansoni tyrosine kinase 0.0752 0.1161 0.2942
Onchocerca volvulus Matrix metalloproteinase homolog 0.3621 0.6053 1
Echinococcus multilocularis 0.0233 0.0276 0.0272
Loa Loa (eye worm) hypothetical protein 0.0475 0.0689 0.1042
Schistosoma mansoni tyrosine kinase 0.04 0.0561 0.1421
Echinococcus granulosus tumor protein p63 0.0678 0.1036 0.1032
Schistosoma mansoni tyrosine kinase 0.0404 0.0568 0.1439
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.0105 0.01
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0005 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.2386 0.3948 1
Echinococcus granulosus microtubule associated protein 2 0.1385 0.2241 0.2238
Schistosoma mansoni hypothetical protein 0.0122 0.0088 0.0224
Loa Loa (eye worm) hypothetical protein 0.0103 0.0056 0.0084
Brugia malayi Furin-like cysteine rich region family protein 0.0752 0.1161 0.1757
Loa Loa (eye worm) hypothetical protein 0.1632 0.2663 0.4029
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0005 0.5
Schistosoma mansoni hypothetical protein 0.2315 0.3826 0.9692
Echinococcus granulosus epidermal growth factor receptor 0.0752 0.1161 0.1157
Schistosoma mansoni tyrosine kinase 0.024 0.0289 0.0733
Onchocerca volvulus Matrilysin homolog 0.1632 0.2663 0.4358
Brugia malayi Matrixin family protein 0.1632 0.2663 0.4029
Echinococcus granulosus insulin receptor 0.024 0.0289 0.0285
Loa Loa (eye worm) TK/EGFR protein kinase 0.0752 0.1161 0.1757
Loa Loa (eye worm) hypothetical protein 0.1632 0.2663 0.4029
Schistosoma mansoni hypothetical protein 0.0097 0.0045 0.0113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0056 0.0084
Onchocerca volvulus 0.2315 0.3826 0.6294
Onchocerca volvulus 0.0099 0.0049 0.0007
Echinococcus granulosus survival motor neuron protein 1 0.0475 0.0689 0.0685
Echinococcus granulosus insulin growth factor 1 receptor beta 0.024 0.0289 0.0285
Loa Loa (eye worm) hypothetical protein 0.1988 0.327 0.4947
Loa Loa (eye worm) hypothetical protein 0.1632 0.2663 0.4029
Mycobacterium leprae PROBABLE HYDROLASE 0.1988 0.327 0.5
Brugia malayi Matrixin family protein 0.1632 0.2663 0.4029
Brugia malayi Matrixin family protein 0.3947 0.661 1
Brugia malayi Matrixin family protein 0.1632 0.2663 0.4029
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0289 0.0372 0.1124
Schistosoma mansoni thyroid hormone receptor 0.0132 0.0105 0.0266
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0289 0.0372 0.1124
Brugia malayi Hemopexin family protein 0.2315 0.3826 0.5789
Echinococcus granulosus epidermal growth factor receptor 0.0404 0.0568 0.0564
Schistosoma mansoni tyrosine kinase 0.04 0.0561 0.1421
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.1632 0.2663 0.6746
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0049 0.0124
Echinococcus multilocularis epidermal growth factor receptor 0.0404 0.0568 0.0564
Echinococcus multilocularis microtubule associated protein 2 0.1385 0.2241 0.2238
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1988 0.327 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0404 0.0568 0.0564
Loa Loa (eye worm) hypothetical protein 0.0099 0.0049 0.0074
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.024 0.0289 0.0285
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.0088 0.0084
Echinococcus multilocularis tumor protein p63 0.0678 0.1036 0.1032
Echinococcus multilocularis epidermal growth factor receptor 0.0752 0.1161 0.1157
Schistosoma mansoni thyroid hormone receptor 0.0132 0.0105 0.0266
Onchocerca volvulus Matrilysin homolog 0.3621 0.6053 1
Loa Loa (eye worm) TK/INSR protein kinase 0.024 0.0289 0.0438
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.5935 1 1
Brugia malayi Matrixin family protein 0.1632 0.2663 0.4029
Schistosoma mansoni tyrosine kinase 0.024 0.0289 0.0733
Echinococcus multilocularis survival motor neuron protein 1 0.0475 0.0689 0.0685
Schistosoma mansoni survival motor neuron protein 0.0097 0.0045 0.0113
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0056 0.0084
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1988 0.327 0.4947
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0005 0.0012
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0268 0.0337 0.1018
Brugia malayi Protein kinase domain containing protein 0.024 0.0289 0.0438
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0005 0.0012
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.0088 0.0084

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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