Detailed information for compound 1305642

Basic information

Technical information
  • TDR Targets ID: 1305642
  • Name: 1-(2,4-difluorophenyl)-3-(5-phenyl-1,3,4-oxad iazol-2-yl)urea
  • MW: 316.262 | Formula: C15H10F2N4O2
  • H donors: 2 H acceptors: 3 LogP: 2.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1F)F)Nc1nnc(o1)c1ccccc1
  • InChi: 1S/C15H10F2N4O2/c16-10-6-7-12(11(17)8-10)18-14(22)19-15-21-20-13(23-15)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21,22)
  • InChiKey: NIEKNKQCMWGFLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T5255074
  • MLS001017586
  • SMR000353871
  • ZINC02663430

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 apurinic/apyrimidinic endonuclease, putative 0.0019 0.0856 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4797 0.5896
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.1652 0.2184
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0778 0.0957
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0778 0.0957
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0856 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0778 0.1029
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.3783 0.5
Schistosoma mansoni zinc finger protein 0.0016 0.0499 0.0613
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0856 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4797 0.5896
Schistosoma mansoni ap endonuclease 0.0019 0.0856 0.1052
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.7565 1
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.1348 0.1446
Echinococcus multilocularis zinc finger protein 0.0021 0.118 0.1559
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0856 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0876 0.094
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0856 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.4746 0.6273
Schistosoma mansoni zinc finger protein 0.0021 0.118 0.145
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0856 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.9319 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4797 0.634
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.1652 0.2031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0856 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0778 0.0957
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4797 0.634
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0856 0.0856
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0778 0.1029
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.1652 0.2184
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.4746 0.4746
Loa Loa (eye worm) hypothetical protein 0.0043 0.4547 0.488
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4797 0.5896
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.3783 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.4797 0.5147
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.4306 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0856 1
Brugia malayi Bromodomain containing protein 0.0041 0.4159 0.4159
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0856 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.536 0.6588
Schistosoma mansoni ap endonuclease 0.0019 0.0856 0.1052
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0856 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.4797 0.4797
Schistosoma mansoni bromodomain containing protein 0.0067 0.8135 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0778 0.1029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4797 0.634
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4797 0.634
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.4306 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0856 0.1132
Schistosoma mansoni hypothetical protein 0.0016 0.0499 0.0613
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.4746 0.5092
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.7565 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0856 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0778 0.0957
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0856 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.3863 0.4146
Loa Loa (eye worm) hypothetical protein 0.0041 0.4171 0.4475
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.536 0.6588
Echinococcus granulosus zinc finger protein 0.0021 0.118 0.1559
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.4746 0.6273
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0856 0.0919
Schistosoma mansoni hypothetical protein 0.0022 0.1348 0.1657
Loa Loa (eye worm) hypothetical protein 0.0045 0.4851 0.5206
Brugia malayi PHD-finger family protein 0.0027 0.2029 0.2029
Toxoplasma gondii exonuclease III APE 0.0019 0.0856 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0856 0.1132
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0778 0.1029
Loa Loa (eye worm) hypothetical protein 0.0018 0.0778 0.0835

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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