Detailed information for compound 1529356

Basic information

Technical information
  • TDR Targets ID: 1529356
  • Name: [1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol -4-yl]methanol
  • MW: 294.348 | Formula: C18H18N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1c(Oc2ccc(cc2)C)n(nc1c1ccccc1)C
  • InChi: 1S/C18H18N2O2/c1-13-8-10-15(11-9-13)22-18-16(12-21)17(19-20(18)2)14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3
  • InChiKey: TWPSAPBHHKSMAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-methyl-5-(4-methylphenoxy)-3-phenyl-pyrazol-4-yl]methanol
  • [1-methyl-5-(4-methylphenoxy)-3-phenyl-4-pyrazolyl]methanol
  • ZINC00168661
  • MLS000720798
  • SMR000334153
  • [1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methanol
  • 3K-366S
  • Oprea1_487984

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 ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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) hexokinase 0.1136 1 1
Echinococcus granulosus hexokinase 0.1136 1 0.5
Echinococcus granulosus hexokinase 0.1136 1 0.5
Leishmania major hexokinase, putative 0.1136 1 0.5
Brugia malayi hexokinase type II 0.0361 0.2798 0.2798
Onchocerca volvulus 0.1136 1 1
Schistosoma mansoni hexokinase 0.1136 1 0.5
Trypanosoma brucei hexokinase 0.1136 1 0.5
Loa Loa (eye worm) hexokinase 0.0352 0.2708 0.2708
Loa Loa (eye worm) hexokinase type II 0.1136 1 1
Plasmodium falciparum hexokinase 0.1136 1 0.5
Brugia malayi Hexokinase family protein 0.1136 1 1
Trypanosoma cruzi hexokinase, putative 0.1136 1 0.5
Brugia malayi Hexokinase family protein 0.0713 0.6065 0.6065
Loa Loa (eye worm) hypothetical protein 0.0775 0.6643 0.6643
Echinococcus granulosus hexokinase type 2 0.1136 1 0.5
Onchocerca volvulus 0.1136 1 1
Trypanosoma brucei hexokinase 0.1136 1 0.5
Echinococcus multilocularis hexokinase 0.1136 1 1
Echinococcus multilocularis hexokinase type 2 0.1136 1 1
Toxoplasma gondii hexokinase 0.1136 1 0.5
Echinococcus granulosus hexokinase 0.1136 1 0.5
Echinococcus multilocularis hexokinase 0.1136 1 1
Treponema pallidum hexokinase (hxk) 0.1136 1 0.5
Leishmania major hexokinase, putative 0.1136 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0361 0.2798 0.2798
Entamoeba histolytica hexokinase 2 0.1136 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1136 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0361 0.2798 0.2798
Plasmodium vivax hexokinase, putative 0.1136 1 0.5
Loa Loa (eye worm) hexokinase 0.0713 0.6065 0.6065
Brugia malayi Hexokinase family protein 0.0352 0.2708 0.2708
Trypanosoma brucei hexokinase, putative 0.1136 1 0.5
Onchocerca volvulus 0.1136 1 1
Entamoeba histolytica hexokinase 1 0.1136 1 0.5
Loa Loa (eye worm) hexokinase 0.1136 1 1
Echinococcus multilocularis hexokinase 0.1136 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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