Detailed information for compound 1499102

Basic information

Technical information
  • TDR Targets ID: 1499102
  • Name: 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N -methyl-N-[(4-pyrazol-1-ylphenyl)methyl]metha namine
  • MW: 375.442 | Formula: C22H22FN5
  • H donors: 0 H acceptors: 2 LogP: 3.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cn(nc1c1ccccc1F)C)Cc1ccc(cc1)n1cccn1
  • InChi: 1S/C22H22FN5/c1-26(14-17-8-10-19(11-9-17)28-13-5-12-24-28)15-18-16-27(2)25-22(18)20-6-3-4-7-21(20)23/h3-13,16H,14-15H2,1-2H3
  • InChiKey: CLGHRPQBSBBETD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
  • 1-[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]-N-methyl-N-[[4-(1-pyrazolyl)phenyl]methyl]methanamine
  • [3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-(4-pyrazol-1-ylbenzyl)amine
  • 1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
  • MLS000773259
  • SMR000319504

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
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) hypothetical protein 0.0013 0.0045 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0013 0.0013
Echinococcus multilocularis serotonin transporter 0.0071 0.5336 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0013 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0013 0.0013
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.2831 0.2831
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0013 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0488 0.0488
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4357 0.4357
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Schistosoma mansoni intermediate filament proteins 0.0033 0.1856 0.1856
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0013 0.0013
Echinococcus granulosus lamin 0.0033 0.1856 0.1856
Loa Loa (eye worm) hypothetical protein 0.0071 0.5336 0.5336
Onchocerca volvulus 0.0033 0.1856 0.3478
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0019 0.0633 0.0633
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0071 0.5336 0.5336
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2633 0.2633
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1856 0.1856
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0013 0.0025
Schistosoma mansoni coup transcription factor 0.0012 0.0013 0.0013
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0013 0.0013
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0013 0.0013
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0041 0.2633 0.2633
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0013 0.0025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0633 0.0633
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0013 0.0013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0013 0.0025
Loa Loa (eye worm) serotonin transporter b 0.0071 0.5336 0.5336
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0013 0.0013
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0013 0.0013
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0012 0 0.5
Loa Loa (eye worm) cytochrome b 0.0123 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0013 0.0013
Loa Loa (eye worm) solute carrier family 6 member 4 0.0071 0.5336 0.5336
Loa Loa (eye worm) hypothetical protein 0.0032 0.1802 0.1802
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Onchocerca volvulus 0.0012 0.0013 0.0025
Loa Loa (eye worm) norepinephrine transporter 0.0071 0.5336 0.5336
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0013 0.0025
Onchocerca volvulus 0.0071 0.5336 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0013 0.0013
Echinococcus multilocularis musashi 0.0033 0.1856 0.3478
Loa Loa (eye worm) hypothetical protein 0.0015 0.0277 0.0277
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0633 0.1186
Echinococcus multilocularis lamin 0.0033 0.1856 0.3478
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0013 0.0013
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0013 0.0013
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0033 0.1856 0.1856
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.006 0.4357 0.4357
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0045 0.0085
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0013 0.0013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0633 0.0633
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0633 0.0633
Schistosoma mansoni hypothetical protein 0.0019 0.0633 0.0633
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0013 0.0013
Echinococcus granulosus GPCR family 2 0.0019 0.0633 0.0633
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4357 0.4357
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0071 0.5336 0.5336
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0013 0.0013
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0633 0.0633
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.2573 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0045 0.0045
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.2831 0.5305
Echinococcus granulosus intermediate filament protein 0.0033 0.1856 0.1856
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.3191 0.3191
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0013 0.0013
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0123 1 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0331 0.0621
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0488 0.0488
Schistosoma mansoni lamin 0.0033 0.1856 0.1856
Brugia malayi steroid hormone receptor 0.0012 0.0013 0.0013
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0045 0.0045
Echinococcus multilocularis GPCR, family 2 0.0019 0.0633 0.1186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0013 0.0013
Echinococcus granulosus lamin dm0 0.0033 0.1856 0.1856
Loa Loa (eye worm) hypothetical protein 0.0041 0.2633 0.2633
Brugia malayi intermediate filament protein 0.0033 0.1856 0.1856
Schistosoma mansoni cytochrome b 0.0123 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0013 0.0013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0013 0.0025
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0013 0.0013
Plasmodium vivax cytochrome b 0.0123 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.3191 0.3191
Echinococcus granulosus serotonin transporter 0.0071 0.5336 0.5336
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0013 0.0025
Echinococcus multilocularis lamin dm0 0.0033 0.1856 0.3478
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0633 0.0633
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0013 0.0013
Treponema pallidum sodium- and chloride- dependent transporter 0.0071 0.5336 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0045 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0013 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0013 0.0013
Brugia malayi nuclear hormone receptor 0.0012 0.0013 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0013 0.0013
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0013 0.0025
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4357 0.4357
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.2831 0.2831
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0013 0.0013
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0013 0.0013
Echinococcus granulosus cytochrome B 0.0123 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0013 0.0025
Loa Loa (eye worm) hypothetical protein 0.0019 0.0633 0.0633
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.2831 0.2831
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0045 0.0045
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0071 0.5336 0.5336
Loa Loa (eye worm) hypothetical protein 0.0071 0.5336 0.5336
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0013 0.0025
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1856 0.1856
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.2573 0.5
Schistosoma mansoni lamin 0.0033 0.1856 0.1856
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0013 0.0013
Schistosoma mansoni sodium/chloride dependent transporter 0.0071 0.5336 0.5336
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0013 0.0013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0633 0.1186
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0013 0.0013
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0013 0.0025
Brugia malayi ecdysteroid receptor 0.0012 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0019 0.0633 0.0633
Schistosoma mansoni cytochrome b 0.0123 1 1
Plasmodium falciparum cytochrome b 0.0123 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1856 0.1856
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0013 0.0013
Toxoplasma gondii cytochrome b 0.0123 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0013 0.0013
Toxoplasma gondii apocytochrome b, putative 0.0123 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0015 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0038 0.2313 0.2313
Onchocerca volvulus 0.0033 0.1856 0.3478
Loa Loa (eye worm) hypothetical protein 0.0016 0.0331 0.0331
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0013 0.0013
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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