Detailed information for compound 1474820

Basic information

Technical information
  • TDR Targets ID: 1474820
  • Name: 4-[(2-methylpiperidin-1-yl)methyl]aniline
  • MW: 204.311 | Formula: C13H20N2
  • H donors: 1 H acceptors: 0 LogP: 2.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)CN1CCCCC1C
  • InChi: 1S/C13H20N2/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10,14H2,1H3
  • InChiKey: AJNSSUGFLMSCJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-methyl-1-piperidyl)methyl]aniline
  • 4-[(2-methyl-1-piperidinyl)methyl]aniline
  • [4-[(2-methyl-1-piperidyl)methyl]phenyl]amine
  • SMR000119690
  • 4-(2-Methyl-piperidin-1-ylmethyl)-phenylamine
  • BAS 09717498
  • ST5030088
  • MLS000122268

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

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 Protein orai-1 0.2214 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0017 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0017 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0017 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0049 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0049 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0049 0.5
Brugia malayi hypothetical protein 0.003 0.0049 0.0049
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0017 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.0017 0.5
Echinococcus multilocularis calcium release activated calcium channel 0.2214 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0049 0.0033
Schistosoma mansoni Protein orai-1 0.2214 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0017 0.0017
Echinococcus granulosus calcium release activated calcium channel 0.2214 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0049 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0017 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0049 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0049 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0017 0.0017
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0017 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0049 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0049 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.2214 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1042 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.