Detailed information for compound 844294

Basic information

Technical information
  • TDR Targets ID: 844294
  • Name: methyl 5-(4-butoxyphenyl)-2H-pyrazole-3-carbo xylate
  • MW: 274.315 | Formula: C15H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)c1n[nH]c(c1)C(=O)OC
  • InChi: 1S/C15H18N2O3/c1-3-4-9-20-12-7-5-11(6-8-12)13-10-14(17-16-13)15(18)19-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)
  • InChiKey: GZSBCSZCKORCCJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(4-butoxyphenyl)-2H-pyrazole-3-carboxylic acid methyl ester
  • MLS-0111545.0001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens alkaline phosphatase, liver/bone/kidney Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus alkaline phosphatase intestinal gene 2 Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma mansoni alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus intestinal type alkaline phosphatase 1 Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus intestinal type alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus multilocularis intestinal type alkaline phosphatase 1 Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma japonicum ko:K01077 alkaline phosphatase [EC3.1.3.1], putative Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma mansoni alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus multilocularis intestinal type alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans vacuolar alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma japonicum Alkaline phosphatase, tissue-nonspecific isozyme precursor, putative Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus multilocularis alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans vacuolar alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976

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
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0196 0.1738 0.5
Echinococcus granulosus alkaline phosphatase 0.0196 0.1738 0.5
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0196 0.1738 0.5
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0591 0.901 0.5
Schistosoma mansoni alkaline phosphatase 0.0196 0.1738 0.1738
Schistosoma mansoni d-amino acid oxidase 0.0645 1 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0196 0.1738 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0645 1 0.5
Echinococcus granulosus intestinal type alkaline phosphatase 0.0196 0.1738 0.5
Schistosoma mansoni alkaline phosphatase 0.0196 0.1738 0.1738
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0645 1 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0196 0.1738 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0196 0.1738 0.5
Echinococcus multilocularis alkaline phosphatase 0.0196 0.1738 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.912 uM PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1548, AID1574, AID1577, AID1659, AID518] ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory) 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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