Detailed information for compound 1467990

Basic information

Technical information
  • TDR Targets ID: 1467990
  • Name: 1-(3-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazo l-2-yl)urea
  • MW: 314.726 | Formula: C15H11ClN4O2
  • H donors: 2 H acceptors: 3 LogP: 2.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)Cl)Nc1nnc(o1)c1ccccc1
  • InChi: 1S/C15H11ClN4O2/c16-11-7-4-8-12(9-11)17-14(21)18-15-20-19-13(22-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20,21)
  • InChiKey: ROCRZAZRKXRDRS-UHFFFAOYSA-N  

Network

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Synonyms

  • T5255034
  • MLS000536155
  • SMR000155458
  • ZINC02663394

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 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) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470

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
Plasmodium vivax replication protein A1, large subunit, putative 0.0091 0.2443 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0189 0.6261 0.5052
Leishmania major replication factor A, 51kDa subunit, putative 0.0091 0.2443 0.5
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0189 0.6261 1
Trypanosoma brucei Replication factor A protein 1 0.0091 0.2443 0.5
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0189 0.6261 0.7126
Brugia malayi BRCA2 repeat family protein 0.0038 0.0409 0.0103
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0323 0.0086
Giardia lamblia Hypothetical protein 0.0028 0 0.5
Plasmodium falciparum replication protein A1, large subunit 0.0091 0.2443 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8656 1
Brugia malayi replication factor A 73 kDa subunit 0.0189 0.6261 0.7126
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0189 0.6261 1
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0048 0.077 0.211
Schistosoma mansoni replication factor A 1 rfa1 0.0189 0.6261 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.018 0.5899 0.4574
Entamoeba histolytica replication factor A protein 1, putative 0.0081 0.2081 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.8656 1
Loa Loa (eye worm) BRCA2 repeat family protein 0.0038 0.0409 0.0103
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.017 0.5491 0.534
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0091 0.2443 1
Trypanosoma cruzi Replication factor A protein 1 0.0091 0.2443 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0189 0.6261 0.5052

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 31.5479 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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