Detailed information for compound 788561

Basic information

Technical information
  • TDR Targets ID: 788561
  • Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyr azol-4-yl]-5-(3-hydroxyphenyl)-1,2-oxazole-3- carboxamide
  • MW: 422.864 | Formula: C22H19ClN4O3
  • H donors: 2 H acceptors: 4 LogP: 4.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)c1onc(c1)C(=O)Nc1c(C)nn(c1C)Cc1ccccc1Cl
  • InChi: 1S/C22H19ClN4O3/c1-13-21(14(2)27(25-13)12-16-6-3-4-9-18(16)23)24-22(29)19-11-20(30-26-19)15-7-5-8-17(28)10-15/h3-11,28H,12H2,1-2H3,(H,24,29)
  • InChiKey: SLXIKHFFEVIWGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-5-(3-hydroxyphenyl)isoxazole-3-carboxamide
  • N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-5-(3-hydroxyphenyl)-3-isoxazolecarboxamide
  • N-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-5-(3-hydroxyphenyl)isoxazole-3-carboxamide
  • N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

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
Brugia malayi TAR-binding protein 0.0074 0.7926 1
Entamoeba histolytica hypothetical protein 0.0036 0.378 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0849 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.378 0.378
Schistosoma mansoni ferritin 0.0008 0.0849 0.0849
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1951 0.1951
Echinococcus multilocularis ferritin 0.0008 0.0849 0.0849
Schistosoma mansoni ferritin 0.0008 0.0849 0.0849
Schistosoma mansoni ferritin 0.0008 0.0849 0.0849
Loa Loa (eye worm) TAR-binding protein 0.0074 0.7926 1
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.425 0.5362
Echinococcus granulosus ferritin 0.0008 0.0849 0.0851
Entamoeba histolytica hypothetical protein 0.0036 0.378 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1951 0.1956
Loa Loa (eye worm) hypothetical protein 0.0019 0.1951 0.2461
Echinococcus granulosus kelch ECH associated protein 1 0.0093 0.9972 1
Schistosoma mansoni ferritin 0.0008 0.0849 0.0849
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.7926 1
Schistosoma mansoni hypothetical protein 0.0019 0.1951 0.1951
Echinococcus multilocularis tar DNA binding protein 0.0074 0.7926 0.7926
Echinococcus granulosus GPCR family 2 0.0019 0.1951 0.1956
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1951 0.1956
Echinococcus granulosus expressed protein 0.0008 0.0849 0.0851
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0849 0.5
Schistosoma mansoni apoferritin-2 0.0008 0.0849 0.0849
Schistosoma mansoni hypothetical protein 0.0036 0.378 0.378
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.0849 0.5
Echinococcus granulosus tar DNA binding protein 0.0074 0.7926 0.7948
Schistosoma mansoni hypothetical protein 0.0019 0.1951 0.1951
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.378 0.378
Loa Loa (eye worm) hypothetical protein 0.0059 0.6231 0.7861
Schistosoma mansoni hypothetical protein 0.0019 0.1951 0.1951
Schistosoma mansoni tar DNA-binding protein 0.0074 0.7926 0.7926
Loa Loa (eye worm) RNA binding protein 0.0074 0.7926 1
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.9972 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0849 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0849 0.5
Schistosoma mansoni hypothetical protein 0.004 0.425 0.425
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.6231 0.7861
Brugia malayi RNA binding protein 0.0074 0.7926 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1951 0.2461
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0849 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.6231 0.7861
Entamoeba histolytica hypothetical protein 0.0036 0.378 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.378 0.5
Trichomonas vaginalis ferritin, putative 0.0008 0.0849 0.5
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.9972 0.9972
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.7926 1
Loa Loa (eye worm) hypothetical protein 0.004 0.425 0.5362
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.378 0.379
Brugia malayi hypothetical protein 0.0036 0.378 0.4769
Schistosoma mansoni tar DNA-binding protein 0.0074 0.7926 0.7926
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1951 0.1951
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0.0849 0.5
Schistosoma mansoni tar DNA-binding protein 0.0074 0.7926 0.7926
Schistosoma mansoni apoferritin-2 0.0008 0.0849 0.0849
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.6231 0.7861
Schistosoma mansoni ferritin light chain 0.0008 0.0849 0.0849
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1951 0.2461
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1951 0.2461
Schistosoma mansoni ferritin light chain 0.0008 0.0849 0.0849
Schistosoma mansoni tar DNA-binding protein 0.0074 0.7926 0.7926
Schistosoma mansoni tar DNA-binding protein 0.0074 0.7926 0.7926
Echinococcus multilocularis GPCR, family 2 0.0019 0.1951 0.1951
Schistosoma mansoni hypothetical protein 0.0019 0.1951 0.1951
Echinococcus multilocularis expressed protein 0.0008 0.0849 0.0849
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.9972 1
Schistosoma mansoni hypothetical protein 0.0094 1 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.9972 0.9972

Activities

No activities found for this compound.

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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