Detailed information for compound 1223413

Basic information

Technical information
  • TDR Targets ID: 1223413
  • Name: 1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4 -ol hydrochloride
  • MW: 317.808 | Formula: C15H24ClNO4
  • H donors: 1 H acceptors: 1 LogP: 2.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(cc1CN1CCC(CC1)O)OC.Cl
  • InChi: 1S/C15H23NO4.ClH/c1-18-13-9-15(20-3)14(19-2)8-11(13)10-16-6-4-12(17)5-7-16;/h8-9,12,17H,4-7,10H2,1-3H3;1H
  • InChiKey: ZAABDLKOMJAIHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidinol hydrochloride
  • 1-(2,4,5-trimethoxybenzyl)piperidin-4-ol hydrochloride
  • 1-(2,4,5-Trimethoxy-benzyl)-piperidin-4-ol
  • MLS001047275
  • SMR000427654

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0073 0.0282 0.0282
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.015 0.0336
Brugia malayi hypothetical protein 0.0073 0.0282 0.0634
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0598 0.0598
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0073 0.0282 0.5
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0453 0.3123 0.3123
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.015 0.015
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0073 0.0282 0.0282
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0073 0.0282 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0282 0.0282
Brugia malayi Peptidase family M1 containing protein 0.0073 0.0282 0.0634
Loa Loa (eye worm) matrix metalloproteinase 0.0056 0.0153 0.0153
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.028 0.028
Brugia malayi Matrixin family protein 0.0056 0.0153 0.0343
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0073 0.0282 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0068 0.0243 0.0546
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0055 0.0055
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0055 0.0055
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Onchocerca volvulus 0.0073 0.0282 0.4283
Loa Loa (eye worm) hypothetical protein 0.0056 0.0153 0.0153
Brugia malayi Hemopexin family protein 0.0079 0.0327 0.0733
Trypanosoma brucei Aminopeptidase M1, putative 0.0073 0.0282 0.5
Brugia malayi hypothetical protein 0.0073 0.0282 0.0634
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.015 0.015
Loa Loa (eye worm) peptidase family M1 containing protein 0.0073 0.0282 0.0282
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0073 0.0282 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1374 1 1
Toxoplasma gondii aminopeptidase N, putative 0.0073 0.0282 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0073 0.0282 0.0282
Brugia malayi Matrixin family protein 0.0135 0.0742 0.1666
Loa Loa (eye worm) hypothetical protein 0.0056 0.0153 0.0153
Brugia malayi Matrixin family protein 0.0056 0.0153 0.0343
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0073 0.0282 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Trypanosoma cruzi aminopeptidase, putative 0.0073 0.0282 0.5
Onchocerca volvulus Matrilysin homolog 0.0123 0.0659 1
Trypanosoma cruzi aminopeptidase, putative 0.0073 0.0282 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0073 0.0282 0.0282
Trypanosoma brucei aminopeptidase, putative 0.0073 0.0282 0.5
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0421 0.0421
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0239 0.1524 0.1524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.015 0.015
Toxoplasma gondii aminopeptidase N protein 0.0073 0.0282 1
Echinococcus multilocularis adam 17 protease 0.0453 0.3123 0.3123
Schistosoma mansoni hypothetical protein 0.0079 0.0327 0.0327
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0214 0.1336 0.1336
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.015 0.015
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.015 0.015
Mycobacterium leprae PROBABLE HYDROLASE 0.0068 0.0243 0.5
Brugia malayi Peptidase family M1 containing protein 0.0073 0.0282 0.0634
Brugia malayi hypothetical protein 0.0632 0.4455 1
Brugia malayi Peptidase family M1 containing protein 0.0073 0.0282 0.0634
Loa Loa (eye worm) TATA binding protein associated factor 0.0073 0.0282 0.0282
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0103 0.0103
Entamoeba histolytica aminopeptidase, putative 0.0073 0.0282 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0073 0.0282 1
Brugia malayi TATA binding protein associated factor 0.0073 0.0282 0.0634
Mycobacterium ulcerans aminopeptidase N PepN 0.0073 0.0282 0.0193
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0337 0.2255 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0153 0.0153
Loa Loa (eye worm) aminopeptidase N 0.0073 0.0282 0.0282
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0073 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0239 0.1524 0.1524
Onchocerca volvulus Matrilysin homolog 0.0056 0.0153 0.2319
Loa Loa (eye worm) hypothetical protein 0.006 0.0188 0.0188
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1374 1 1
Brugia malayi Matrixin family protein 0.0056 0.0153 0.0343
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0055 0.0055
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0073 0.0282 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0073 0.0282 0.5
Brugia malayi Matrixin family protein 0.0056 0.0153 0.0343
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0073 0.0282 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0202 0.1249 0.1249
Brugia malayi jmjC domain containing protein 0.0115 0.0598 0.1343
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0073 0.0282 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0123 0.0659 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.015 0.015
Onchocerca volvulus 0.0073 0.0282 0.4283
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.015 0.015
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0073 0.0282 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0103 0.0103
Onchocerca volvulus 0.0079 0.0327 0.4954
Loa Loa (eye worm) matrixin family protein 0.0123 0.0659 0.0659
Echinococcus granulosus adam 17 protease 0.0453 0.3123 0.3123
Echinococcus granulosus aminopeptidase N 0.0073 0.0282 0.0282
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0073 0.0282 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0055 0.0055
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0214 0.1336 0.1336
Mycobacterium ulcerans aminopeptidase N PepN 0.0073 0.0282 0.0193
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0073 0.0282 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0073 0.0282 0.5
Onchocerca volvulus 0.0073 0.0282 0.4283
Onchocerca volvulus 0.0056 0.0153 0.2319
Mycobacterium ulcerans epoxide hydrolase EphA 0.0337 0.2255 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0073 0.0282 0.0282
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0202 0.1249 0.1249
Echinococcus multilocularis aminopeptidase N 0.0073 0.0282 0.0282
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0073 0.0282 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0073 0.0282 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0073 0.0282 0.5
Brugia malayi jmjC domain containing protein 0.0043 0.0055 0.0124
Loa Loa (eye worm) matrixin family protein 0.0135 0.0742 0.0742
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0598 0.0598
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0056 0.0153 0.0153
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0073 0.0282 0.5
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0214 0.1336 0.2999
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0239 0.1524 0.1524
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0073 0.0282 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0214 0.1336 0.1336
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1374 1 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0081 0.0345 0.0345
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0073 0.0282 0.5
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.015 0.015
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0073 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0068 0.0243 0.0243
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0282 0.0282

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.

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