Detailed information for compound 1199650

Basic information

Technical information
  • TDR Targets ID: 1199650
  • Name: 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol -3-yl)urea
  • MW: 286.114 | Formula: C11H9Cl2N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1noc(c1)C)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C11H9Cl2N3O2/c1-6-4-10(16-18-6)15-11(17)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16,17)
  • InChiKey: JZYMICAMXHNNBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dichlorophenyl)-3-(5-methylisoxazol-3-yl)urea
  • 1-(3,4-dichlorophenyl)-3-(5-methyl-3-isoxazolyl)urea
  • AK-968/40384983
  • ZINC00369824
  • Oprea1_201935
  • MLS001178869
  • N-(3,4-dichlorophenyl)-N'-(5-methyl-3-isoxazolyl)urea
  • ST5159728
  • Oprea1_521181
  • SMR000476843

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.2467 0.7069
Entamoeba histolytica hypothetical protein 0.008 0.1789 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0387 0.1109
Schistosoma mansoni hypothetical protein 0.0033 0.0475 0.1
Loa Loa (eye worm) RNA binding protein 0.0141 0.349 1
Echinococcus granulosus lamin dm0 0.003 0.0387 0.0324
Echinococcus multilocularis tumor protein p63 0.0375 1 1
Brugia malayi intermediate filament protein 0.003 0.0387 0.1109
Entamoeba histolytica hypothetical protein 0.008 0.1789 1
Echinococcus multilocularis tar DNA binding protein 0.0141 0.349 0.3447
Echinococcus granulosus intermediate filament protein 0.003 0.0387 0.0324
Onchocerca volvulus 0.004 0.0678 0.4177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0475 0.1362
Echinococcus multilocularis lamin 0.003 0.0387 0.0324
Schistosoma mansoni lamin 0.003 0.0387 0.0785
Schistosoma mansoni transcription factor LCR-F1 0.008 0.1789 0.4204
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0678 0.0918
Mycobacterium leprae conserved hypothetical protein 0.004 0.0678 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.2803 0.8032
Loa Loa (eye worm) hypothetical protein 0.0033 0.0475 0.1362
Loa Loa (eye worm) hypothetical protein 0.004 0.0678 0.1941
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0678 0.0918
Mycobacterium ulcerans beta-lactamase 0.004 0.0678 1
Echinococcus multilocularis musashi 0.003 0.0387 0.0324
Echinococcus granulosus lamin 0.003 0.0387 0.0324
Loa Loa (eye worm) hypothetical protein 0.004 0.0678 0.1941
Loa Loa (eye worm) beta-lactamase 0.004 0.0678 0.1941
Toxoplasma gondii ABC1 family protein 0.004 0.0678 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0065 0.0187
Leishmania major hypothetical protein, conserved 0.004 0.0678 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0065 0.5
Echinococcus multilocularis lamin dm0 0.003 0.0387 0.0324
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0065 0.0187
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.2467 0.7069
Schistosoma mansoni hypothetical protein 0.0033 0.0475 0.1
Schistosoma mansoni hypothetical protein 0.008 0.1789 0.4204
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.349 1
Schistosoma mansoni hypothetical protein 0.0165 0.4165 1
Brugia malayi TAR-binding protein 0.0141 0.349 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.1789 0.1735
Schistosoma mansoni hypothetical protein 0.0071 0.1545 0.3609
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0065 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0678 0.0918
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0678 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0475 0.0413
Loa Loa (eye worm) hypothetical protein 0.004 0.0678 0.1941
Mycobacterium tuberculosis Conserved protein 0.004 0.0678 0.0918
Echinococcus granulosus geminin 0.0165 0.4165 0.4127
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0065 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0678 0.0918
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.1789 0.1735
Schistosoma mansoni tar DNA-binding protein 0.0141 0.349 0.8352
Schistosoma mansoni tar DNA-binding protein 0.0141 0.349 0.8352
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0678 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0678 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0678 0.0918
Schistosoma mansoni hypothetical protein 0.0165 0.4165 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0678 1
Schistosoma mansoni hypothetical protein 0.014 0.3446 0.8244
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.3446 0.3402
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2803 0.8032
Loa Loa (eye worm) TAR-binding protein 0.0141 0.349 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0475 0.1362
Mycobacterium tuberculosis Conserved protein 0.004 0.0678 0.0918
Loa Loa (eye worm) hypothetical protein 0.0104 0.2467 0.7069
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0475 0.0413
Trichomonas vaginalis esterase, putative 0.004 0.0678 1
Schistosoma mansoni lamin 0.003 0.0387 0.0785
Schistosoma mansoni intermediate filament proteins 0.003 0.0387 0.0785
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0678 0.1941
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0475 0.1362
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0387 0.1109
Mycobacterium tuberculosis Conserved protein 0.004 0.0678 0.0918
Schistosoma mansoni hypothetical protein 0.0033 0.0475 0.1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0475 0.0413
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0678 0.1493
Brugia malayi beta-lactamase 0.004 0.0678 0.1941
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0678 1
Plasmodium vivax hypothetical protein, conserved 0.004 0.0678 1
Brugia malayi hypothetical protein 0.008 0.1789 0.5127
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0065 0.5
Entamoeba histolytica hypothetical protein 0.008 0.1789 1
Brugia malayi beta-lactamase family protein 0.004 0.0678 0.1941
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0678 1
Schistosoma mansoni tar DNA-binding protein 0.0141 0.349 0.8352
Echinococcus multilocularis geminin 0.0165 0.4165 0.4127
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.1082 0.2481
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1545 0.4427
Onchocerca volvulus 0.004 0.0678 0.4177
Echinococcus granulosus GPCR family 2 0.0033 0.0475 0.0413
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0678 0.1941
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0678 0.0918
Loa Loa (eye worm) hypothetical protein 0.0071 0.1545 0.4427
Mycobacterium ulcerans hypothetical protein 0.004 0.0678 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0475 0.0413
Loa Loa (eye worm) hypothetical protein 0.0029 0.0372 0.1066
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.2467 0.7069
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0678 1
Schistosoma mansoni thyroid hormone receptor 0.0151 0.3758 0.9006
Mycobacterium ulcerans lipase LipD 0.004 0.0678 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0678 0.1941
Loa Loa (eye worm) hypothetical protein 0.0055 0.1082 0.3102
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0387 0.1109
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.3446 0.3402
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2803 0.8032
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0678 0.0918
Entamoeba histolytica hypothetical protein 0.008 0.1789 1
Brugia malayi beta-lactamase family protein 0.004 0.0678 0.1941
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0678 0.0616
Schistosoma mansoni thyroid hormone receptor 0.0151 0.3758 0.9006
Schistosoma mansoni hypothetical protein 0.0033 0.0475 0.1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.349 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0678 0.0616
Loa Loa (eye worm) hypothetical protein 0.003 0.0387 0.1109
Echinococcus granulosus tar DNA binding protein 0.0141 0.349 0.3447
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0258 0.6735 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0678 0.1941
Mycobacterium leprae Probable lipase LipE 0.004 0.0678 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0678 0.1941
Brugia malayi RNA binding protein 0.0141 0.349 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.3758 0.3717
Schistosoma mansoni tar DNA-binding protein 0.0141 0.349 0.8352
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0678 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0678 0.1493
Onchocerca volvulus 0.0055 0.1082 1
Onchocerca volvulus 0.004 0.0678 0.4177
Schistosoma mansoni tar DNA-binding protein 0.0141 0.349 0.8352
Echinococcus multilocularis GPCR, family 2 0.0033 0.0475 0.0413

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 17.7828 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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