Detailed information for compound 1415118

Basic information

Technical information
  • TDR Targets ID: 1415118
  • Name: 3-ethyl-1-(4-piperidin-1-ylphenyl)thiourea
  • MW: 263.402 | Formula: C14H21N3S
  • H donors: 1 H acceptors: 0 LogP: 3.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN=C(Nc1ccc(cc1)N1CCCCC1)S
  • InChi: 1S/C14H21N3S/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
  • InChiKey: BOLOBYUMAPYVRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-ethyl-1-[4-(1-piperidyl)phenyl]thiourea
  • 3-ethyl-1-(4-piperidinophenyl)thiourea
  • Oprea1_167729
  • SMR000348528
  • T0513-0809
  • MLS001004954
  • ZINC03261081

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0058 0.0276 0.0297
Echinococcus granulosus vesicular acetylcholine transporter 0.0898 0.5957 1
Loa Loa (eye worm) glutaminase 2 0.033 0.2115 0.2115
Loa Loa (eye worm) glutaminase 0.033 0.2115 0.2115
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2349 0.217
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0102 0.0102
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1182 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.1496 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0098 0.0098
Brugia malayi hypothetical protein 0.0286 0.1814 0.1814
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0176 0.0126
Schistosoma mansoni glutaminase 0.033 0.2115 0.3438
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0176 0.0126
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1496 1 1
Brugia malayi glutaminase DH11.1 0.033 0.2115 0.2115
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0898 0.5957 0.5957
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.105 0.084
Schistosoma mansoni hypothetical protein 0.0043 0.0176 0.0126
Mycobacterium ulcerans glutaminase 0.033 0.2115 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0276 0.0276
Schistosoma mansoni vesicular acetylcholine transporter 0.0898 0.5957 1
Entamoeba histolytica hypothetical protein 0.0043 0.0176 0.5
Brugia malayi intermediate filament protein 0.0033 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0764 0.5053 0.5053
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0176 0.0126
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1814 0.2924
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0033 0.0102 0.0102
Entamoeba histolytica hypothetical protein 0.0043 0.0176 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2349 0.1452
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2349 0.217
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1814 0.2924
Entamoeba histolytica hypothetical protein 0.0043 0.0176 0.5
Brugia malayi hypothetical protein 0.0043 0.0176 0.0176
Schistosoma mansoni hypothetical protein 0.0058 0.0276 0.0297
Loa Loa (eye worm) hypothetical protein 0.0286 0.1814 0.1814
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2349 0.217
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0102 0.0102
Brugia malayi vesicular acetylcholine transporter unc-17 0.0898 0.5957 0.5957
Trichomonas vaginalis glutaminase, putative 0.033 0.2115 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0176 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0276 0.0297
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0305 0.0078
Toxoplasma gondii hypothetical protein 0.0059 0.028 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.0898 0.5957 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.105 0.084
Loa Loa (eye worm) hypothetical protein 0.1496 1 1
Leishmania major C-8 sterol isomerase-like protein 0.1496 1 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0898 0.5957 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 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: 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 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) 89.1251 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) 89.1251 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

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.

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