Detailed information for compound 1570989

Basic information

Technical information
  • TDR Targets ID: 1570989
  • Name: 1-(3-methylfuran-2-carbonyl)piperidine-2-carb oxylic acid
  • MW: 237.252 | Formula: C12H15NO4
  • H donors: 1 H acceptors: 3 LogP: 1.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CCCCN1C(=O)c1occc1C
  • InChi: 1S/C12H15NO4/c1-8-5-7-17-10(8)11(14)13-6-3-2-4-9(13)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16)
  • InChiKey: FWOGBNQBGXLBMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-methyl-2-furyl)-oxomethyl]-2-piperidinecarboxylic acid
  • 1-(3-methylfuran-2-carbonyl)pipecolinic acid
  • 1-(3-methylfuran-2-yl)carbonylpiperidine-2-carboxylic acid
  • MLS000715824
  • SMR000277341
  • Oprea1_294666
  • STK325710
  • 1-(3-Methyl-furan-2-carbonyl)-piperidine-2-carboxylic acid
  • BAS 04845539
  • ChemDiv2_001530

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0105 0.0153
Onchocerca volvulus 0.0703 0.5103 1
Trypanosoma cruzi hypothetical protein, conserved 0.0703 0.5103 1
Leishmania major hypothetical protein, conserved 0.0703 0.5103 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0615 0.0484
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0387 0.0758
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0132 0.0259
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0132 0.0207
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0615 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0615 0.1158
Schistosoma mansoni chromobox protein 0.0084 0.0387 0.4664
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0176 0.0345
Brugia malayi Heterochromatin protein 1 0.0084 0.0387 0.0564
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0703 0.5103 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0615 0.1158
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0105 0.0206
Brugia malayi Lipase family protein 0.0703 0.5103 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0105 0.0153
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Trypanosoma cruzi hypothetical protein, conserved 0.0703 0.5103 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Trichomonas vaginalis lipase containing protein, putative 0.0703 0.5103 1
Trypanosoma brucei lipase domain protein, putative 0.0703 0.5103 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0387 0.0758
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0703 0.5103 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0105 0.0206
Brugia malayi hypothetical protein 0.0182 0.1136 0.2064
Loa Loa (eye worm) lipase 0.0703 0.5103 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0176 0.0345
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0387 0.0708
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0615 0.102
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0132 0.0259
Trichomonas vaginalis lipase containing protein, putative 0.0703 0.5103 1
Trypanosoma brucei lipase domain protein, putative 0.0703 0.5103 1
Onchocerca volvulus 0.0182 0.1136 0.2185
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0615 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.1136 0.2185
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0615 0.0484
Schistosoma mansoni chromobox protein 0.0084 0.0387 0.4664
Giardia lamblia Kinase, PLK 0.0114 0.0615 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0615 0.1205
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.1339 0.9949 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 15.003 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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