Detailed information for compound 1440700

Basic information

Technical information
  • TDR Targets ID: 1440700
  • Name: 5,5-diethyl-3-(phenylamino)-2-sulfanylideneim idazolidin-4-one
  • MW: 263.359 | Formula: C13H17N3OS
  • H donors: 2 H acceptors: 1 LogP: 3.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1(CC)NC(=S)N(C1=O)Nc1ccccc1
  • InChi: 1S/C13H17N3OS/c1-3-13(4-2)11(17)16(12(18)14-13)15-10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3,(H,14,18)
  • InChiKey: RULZJDUHZOELQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,5-diethyl-3-(phenylamino)-2-thioxo-imidazolidin-4-one
  • 5,5-diethyl-3-(phenylamino)-2-thioxo-4-imidazolidinone
  • 5,5-diethyl-3-(phenylamino)-2-sulfanylidene-imidazolidin-4-one
  • AG-690/09440039
  • ZINC02896932
  • Oprea1_198947
  • 3-anilino-5,5-diethyl-2-thioxo-4-imidazolidinone
  • MLS000533011
  • SMR000140449

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
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
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0153 0.3483 0.2275
Echinococcus granulosus proteasome prosome macropain 0.0335 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0153 0.3483 0.2275
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0335 1 0.5
Loa Loa (eye worm) proteasome subunit beta type 2 0.0099 0.1564 0.1564
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0335 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.076 0.076
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0153 0.3483 0.3483
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0335 1 1
Mycobacterium ulcerans proteasome PrcB 0.0335 1 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.076 0.076
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0153 0.3483 0.3483
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0099 0.1564 0.1564
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0153 0.3483 0.2275
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0153 0.3483 0.2275
Toxoplasma gondii proteasome subunit beta type, putative 0.0335 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.076 0.076
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0099 0.1564 0.1564
Plasmodium vivax proteasome subunit beta type-5, putative 0.0335 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0335 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0153 0.3483 0.2275
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0335 1 1
Giardia lamblia Proteasome subunit beta type 1 0.0153 0.3483 0.2275
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0153 0.3483 0.2275
Echinococcus multilocularis proteasome (prosome, macropain) 0.0335 1 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0153 0.3483 0.2275
Brugia malayi proteasome subunit beta type 1 0.0153 0.3483 0.3483
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0335 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0335 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0153 0.3483 0.2275
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0335 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0335 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.076 0.076
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0153 0.3483 0.2275
Plasmodium falciparum proteasome subunit beta type-5 0.0335 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.076 0.076
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0099 0.1564 0.1564
Brugia malayi proteasome subunit beta type 2 0.0099 0.1564 0.1564
Brugia malayi TAR-binding protein 0.0076 0.076 0.076
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0335 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.076 0.076
Brugia malayi RNA binding protein 0.0076 0.076 0.076
Loa Loa (eye worm) proteasome subunit beta type 1 0.0153 0.3483 0.3483
Echinococcus multilocularis tar DNA binding protein 0.0076 0.076 0.076
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0099 0.1564 0.1564
Schistosoma mansoni tar DNA-binding protein 0.0076 0.076 0.076
Schistosoma mansoni tar DNA-binding protein 0.0076 0.076 0.076
Loa Loa (eye worm) TAR-binding protein 0.0076 0.076 0.076
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.076 0.076
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0335 1 0.5
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0153 0.3483 0.3483

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 22.3872 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) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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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