Detailed information for compound 1487446

Basic information

Technical information
  • TDR Targets ID: 1487446
  • Name: 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-( phenylmethyl)urea
  • MW: 311.401 | Formula: C17H17N3OS
  • H donors: 1 H acceptors: 1 LogP: 3.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1=NCCS1)Cc1ccccc1)Nc1ccccc1
  • InChi: 1S/C17H17N3OS/c21-16(19-15-9-5-2-6-10-15)20(17-18-11-12-22-17)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)
  • InChiKey: RJEFUGUAZORYQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4,5-dihydrothiazol-2-yl)-3-phenyl-1-(phenylmethyl)urea
  • 1-(benzyl)-1-(4,5-dihydrothiazol-2-yl)-3-phenyl-urea
  • STOCK1S-94105
  • MLS000552829
  • ZINC00504297
  • 1-Benzyl-1-(4,5-dihydro-thiazol-2-yl)-3-phenyl-urea
  • SMR000146344

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma cruzi hypothetical protein, conserved 0.003 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0083 0.3556 0.3556
Chlamydia trachomatis SWIB complex protein 0.0083 0.3556 0.5
Echinococcus multilocularis traf and tnf receptor associated protein 0.018 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0083 0.3556 0.5
Schistosoma mansoni hypothetical protein 0.0083 0.3556 1
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0083 0.3556 0.3621
Echinococcus granulosus traf and tnf receptor associated protein 0.018 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0083 0.3556 0.3556
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0083 0.3556 0.3556
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0083 0.3556 0.3556
Brugia malayi brahma associated protein 60 kDa 0.0083 0.3556 0.3556
Trypanosoma cruzi hypothetical protein, conserved 0.003 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.003 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.003 0 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0083 0.3556 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.3556 0.5
Loa Loa (eye worm) brahma associated protein 0.0083 0.3556 0.3621
Echinococcus multilocularis SWI:SNF matrix associated 0.0083 0.3556 0.3556
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0177 0.9821 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0083 0.3556 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.003 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.003 0 0.5
Schistosoma mansoni brg-1 associated factor 0.0083 0.3556 1
Plasmodium vivax hypothetical protein, conserved 0.0083 0.3556 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0083 0.3556 0.3556
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.003 0 0.5
Onchocerca volvulus 0.0083 0.3556 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0083 0.3556 0.3556
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0175 0.965 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.003 0 0.5
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.003 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.003 0 0.5
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Schistosoma mansoni hypothetical protein 0.0083 0.3556 1
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Schistosoma mansoni hypothetical protein 0.0083 0.3556 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.003 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0083 0.3556 0.3685
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0083 0.3556 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.003 0 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.003 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.003 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0083 0.3556 0.3685
Brugia malayi brahma associated protein 60 kDa 0.0083 0.3556 0.3556

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1472 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) 1.2589 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] 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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