Detailed information for compound 1603074

Basic information

Technical information
  • TDR Targets ID: 1603074
  • Name: 3-[(4-methoxyphenyl)methylideneamino]-1-(oxol an-2-ylmethyl)thiourea
  • MW: 293.385 | Formula: C14H19N3O2S
  • H donors: 2 H acceptors: 0 LogP: 1.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=N/NC(=S)NCC1CCCO1
  • InChi: 1S/C14H19N3O2S/c1-18-12-6-4-11(5-7-12)9-16-17-14(20)15-10-13-3-2-8-19-13/h4-7,9,13H,2-3,8,10H2,1H3,(H2,15,17,20)/b16-9+
  • InChiKey: GICIZXIBHSOYFK-CXUHLZMHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(4-methoxyphenyl)methyleneamino]-1-(tetrahydrofuran-2-ylmethyl)thiourea
  • 3-[(4-methoxyphenyl)methyleneamino]-1-(2-tetrahydrofuranylmethyl)thiourea
  • 3-[(4-methoxybenzylidene)amino]-1-(tetrahydrofurfuryl)thiourea
  • MLS000861110
  • N1-tetrahydrofuran-2-ylmethyl-2-(4-methoxybenzylidene)hydrazine-1-carbothioamide
  • SMR000459894
  • RDR 00934
  • Maybridge1_005988

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Species Potential target Known druggable target Length Alignment span Identity
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
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0106 0.0194 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Echinococcus multilocularis serine protein kinase ATM 0.0095 0.0148 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0169 0.046 1
Giardia lamblia GTOR 0.0169 0.046 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0095 0.0148 0.0414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0169 0.046 0.1352
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0057 0.1025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0194 0.4228
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0169 0.046 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0169 0.046 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0169 0.046 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0169 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0148 0.3227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Echinococcus granulosus serine protein kinase ATM 0.0095 0.0148 0.0092
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0194 0.4087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi hypothetical protein, conserved 0.0848 0.3332 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0169 0.046 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2426 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0095 0.0148 0.0092
Schistosoma mansoni fkbp-rapamycin associated protein 0.0095 0.0148 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0169 0.046 0.0405
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0169 0.046 1
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.0194 0.4087
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0095 0.0148 0.0414
Leishmania major hypothetical protein, conserved 0.0881 0.347 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0095 0.0148 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Brugia malayi FAT domain containing protein 0.0074 0.0057 0.1239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0169 0.046 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0095 0.0148 0.0092
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0169 0.046 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0169 0.046 0.0405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0095 0.0148 0.3227
Loa Loa (eye worm) hypothetical protein 0.0074 0.0057 0.1239
Loa Loa (eye worm) phosphatidylinositol 3 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0169 0.046 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0169 0.046 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0148 0.3062
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0106 0.0194 0.1478
Loa Loa (eye worm) hypothetical protein 0.0063 0.0011 0.0239
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0169 0.046 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0095 0.0148 0.3227
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0169 0.046 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0169 0.046 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0169 0.046 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.046 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0169 0.046 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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