Detailed information for compound 1618647

Basic information

Technical information
  • TDR Targets ID: 1618647
  • Name: 1-(2-morpholin-4-ylethyl)-3-(thiophen-2-ylmet hylideneamino)thiourea
  • MW: 298.428 | Formula: C12H18N4OS2
  • H donors: 2 H acceptors: 0 LogP: 1.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N/N=C/c1cccs1)NCCN1CCOCC1
  • InChi: 1S/C12H18N4OS2/c18-12(15-14-10-11-2-1-9-19-11)13-3-4-16-5-7-17-8-6-16/h1-2,9-10H,3-8H2,(H2,13,15,18)/b14-10+
  • InChiKey: GQOBKWXOUULRMU-GXDHUFHOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-morpholinoethyl)-3-(2-thienylmethyleneamino)thiourea
  • T0520-3367

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi N-myristoyltransferase 2 0.0107 0.4749 0.5393
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0023 0.0239 0.0239
Trypanosoma cruzi N-myristoyl transferase, putative 0.0107 0.4749 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1191 0.1353
Loa Loa (eye worm) hypothetical protein 0.003 0.0614 0.0697
Leishmania major N-myristoyl transferase, putative 0.0107 0.4749 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0023 0.0239 0.0239
Brugia malayi hypothetical protein 0.003 0.0614 0.0697
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0614 0.083
Giardia lamblia CDC72 0.0107 0.4749 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2218 0.2518
Trypanosoma brucei N-myristoyl transferase, putative 0.0107 0.4749 1
Leishmania major hypothetical protein, conserved 0.003 0.0614 0.083
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0107 0.4749 1
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0107 0.4749 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2218 0.2518
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0107 0.4749 0.4749
Schistosoma mansoni hypothetical protein 0.0041 0.1191 0.1191
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0023 0.0239 0.0239
Schistosoma mansoni N-myristoyltransferase 0.0107 0.4749 0.4749
Loa Loa (eye worm) N-myristoyltransferase 2 0.0107 0.4749 0.5393
Trichomonas vaginalis N-myristoyl transferase, putative 0.0107 0.4749 1
Onchocerca volvulus 0.0182 0.8806 0.5
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0107 0.4749 1
Brugia malayi MH2 domain containing protein 0.0144 0.6742 0.7656
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6742 0.7656
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0614 0.083
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2218 0.2518
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0023 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0182 0.8806 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.1353
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0023 0.0239 0.0272
Echinococcus granulosus ubiquitin specific protease 41 0.0023 0.0239 0.0239
Trichomonas vaginalis N-myristoyl transferase, putative 0.007 0.2769 0.5608
Trypanosoma cruzi N-myristoyl transferase, putative 0.0107 0.4749 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0023 0.0239 0.0239
Brugia malayi hypothetical protein 0.0182 0.8806 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0614 0.083
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0107 0.4749 0.4749
Brugia malayi hypothetical protein 0.002 0.0032 0.0037
Loa Loa (eye worm) hypothetical protein 0.006 0.2218 0.2518
Echinococcus multilocularis ubiquitin specific protease 41 0.0023 0.0239 0.0239
Trypanosoma brucei N-myristoyltransferase 0.0107 0.4749 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.0272
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6742 0.7656
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0023 0.0239 0.0239
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0614 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0041 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3323 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) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 22.3872 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 of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (binding) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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