Detailed information for compound 531861

Basic information

Technical information
  • TDR Targets ID: 531861
  • Name: allylthiourea
  • MW: 116.185 | Formula: C4H8N2S
  • H donors: 2 H acceptors: 0 LogP: 0.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)NCC=C
  • InChi: 1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
  • InChiKey: HTKFORQRBXIQHD-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-prop-2-enylthiourea
  • prop-2-enylthiourea
  • 109-57-9
  • N-Allylthiourea
  • NSC1915
  • Rhodallin
  • Rhodalline
  • Thiosinamin
  • Thiosinamine
  • Thiourea, 2-propenyl-
  • U 19571
  • Urea, 1-allyl-2-thio-
  • WLN: SUYZM2U1
  • 108804_ALDRICH
  • (2-Propenyl)thiourea
  • 4-04-00-01072 (Beilstein Handbook Reference)
  • AI3-17185
  • Aliltiourea [INN-Spanish]
  • Aliltiourea [Spanish]
  • Allylthiomocovina [Czech]
  • Allylthiourea [INN-Latin]
  • Allylthiourea [INN]
  • Allylthiouree [French]
  • Allylthiouree [INN-French]
  • BRN 1071470
  • CCRIS 4572
  • EINECS 203-683-5
  • NSC 1915
  • Thiocynamine
  • Thiosinaminum
  • Thiosinaminum [Latin]
  • Tiosinamin
  • Tiosinamina [INN-Spanish]
  • Tiosinamine
  • Tiosinaminum [INN-Latin]
  • 06064_FLUKA
  • NCGC00091400-01
  • ZINC01577084
  • T0516-5931
  • 1-Allyl-2-thiourea
  • 1-Allylthiourea
  • Allylthiocarbamide
  • Aminosin

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL No references
Schistosoma mansoni tyrosinase precursor Curated by TDR Targets No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Schistosoma mansoni tyrosinase precursor Curated by TDR Targets No references
Homo sapiens androgen receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00505 tyrosinase [EC1.14.18.1], putative Get druggable targets OG5_137498 All targets in OG5_137498
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni tyrosinase precursor Get druggable targets OG5_137498 All targets in OG5_137498
Schistosoma japonicum ko:K00505 tyrosinase [EC1.14.18.1], putative Get druggable targets OG5_137498 All targets in OG5_137498
Schistosoma mansoni tyrosinase precursor Get druggable targets OG5_137498 All targets in OG5_137498
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0019 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0316 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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 (functional) 44.6684 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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 Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 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) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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:

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

3 literature references were collected for this gene.

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