Detailed information for compound 1468241

Basic information

Technical information
  • TDR Targets ID: 1468241
  • Name: 1-(2-methylprop-2-enyl)-3-(pyridine-4-carbony lamino)thiourea
  • MW: 250.32 | Formula: C11H14N4OS
  • H donors: 2 H acceptors: 2 LogP: 1.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=NCC(=C)C)NNC(=O)c1ccncc1
  • InChi: 1S/C11H14N4OS/c1-8(2)7-13-11(17)15-14-10(16)9-3-5-12-6-4-9/h3-6H,1,7H2,2H3,(H,14,16)(H2,13,15,17)
  • InChiKey: YDLQBNYRPKDNMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-methylprop-2-enyl)-3-[[oxo-(4-pyridyl)methyl]amino]thiourea
  • 1-(2-methylprop-2-enyl)-3-(pyridin-4-ylcarbonylamino)thiourea
  • SMR000282002
  • ZINC03010387
  • BAS 00380023
  • MLS000712235

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0148 0.3694 0.3694
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.038 1 0.5
Brugia malayi glutaminase DH11.1 0.033 0.8652 0.8652
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1171 0.1171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1171 0.1171
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1171 0.1171
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0145 0.3618 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0145 0.3618 0.5
Echinococcus granulosus dihydrofolate reductase 0.038 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.3694 1
Echinococcus multilocularis dihydrofolate reductase 0.038 1 1
Chlamydia trachomatis dihydrofolate reductase 0.038 1 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0145 0.3618 0.5
Trichomonas vaginalis glutaminase, putative 0.033 0.8652 0.5
Brugia malayi hypothetical protein 0.0148 0.3694 0.3694
Loa Loa (eye worm) glutaminase 2 0.033 0.8652 0.8652
Schistosoma mansoni dihydrofolate reductase 0.038 1 1
Brugia malayi Dihydrofolate reductase 0.038 1 1
Schistosoma mansoni glutaminase 0.033 0.8652 0.8652
Loa Loa (eye worm) dihydrofolate reductase 0.038 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1171 0.1171
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0145 0.3618 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0145 0.3618 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0145 0.3618 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.038 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1171 0.1171
Loa Loa (eye worm) glutaminase 0.033 0.8652 0.8652
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0148 0.3694 0.3694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1171 0.1171
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.038 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1171 0.1171
Onchocerca volvulus Huntingtin homolog 0.0148 0.3694 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 10 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) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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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