Detailed information for compound 514890

Basic information

Technical information
  • TDR Targets ID: 514890
  • Name: 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyr azol-2-yl]ethanone
  • MW: 298.767 | Formula: C17H15ClN2O
  • H donors: 0 H acceptors: 1 LogP: 3.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C1CC(=NN1C(=O)C)c1ccccc1
  • InChi: 1S/C17H15ClN2O/c1-12(21)20-17(14-8-5-9-15(18)10-14)11-16(19-20)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3
  • InChiKey: AFGLIAGETHRCIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-(3-chlorophenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone
  • 1-[5-(3-chlorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]ethanone
  • AJ-091/14842004

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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.2476 1
Loa Loa (eye worm) transcription factor SMAD2 0.0073 0.5912 0.5912
Loa Loa (eye worm) hypothetical protein 0.0034 0.2239 0.2239
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.001 0.0034 0.0034
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.004 0.2791 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.2711 0.2711
Schistosoma mansoni hypothetical protein 0.0104 0.8752 0.8752
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0174 0.0174
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.001 0.0034 0.0034
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0009 0 0.5
Plasmodium falciparum peptidase, putative 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.1967 0.1967
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0118 1 1
Schistosoma mansoni hypothetical protein 0.001 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0021 0.1072 0.1072
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0118 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0073 0.5912 0.5912
Giardia lamblia Alanyl dipeptidyl peptidase 0.0009 0 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.2711 0.2711
Loa Loa (eye worm) hypothetical protein 0.0011 0.0174 0.0174
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0031 0.1967 0.1967
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0174 0.0174
Loa Loa (eye worm) latrophilin receptor protein 2 0.001 0.0034 0.0034
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0174 0.0174
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.004 0.2791 1
Brugia malayi hypothetical protein 0.003 0.193 0.193
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0118 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0009 0 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.2711 0.2711
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.004 0.2791 1
Schistosoma mansoni hypothetical protein 0.001 0.0034 0.0034
Mycobacterium tuberculosis Probable peptidase 0.0009 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0021 0.1072 0.1072
Brugia malayi Latrophilin receptor protein 2 0.001 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.001 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0104 0.8752 0.8752
Loa Loa (eye worm) prolyl oligopeptidase 0.0118 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.001 0.0034 0.0034
Giardia lamblia Alanyl dipeptidyl peptidase 0.0009 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0009 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.3039 0.3039
Loa Loa (eye worm) hypothetical protein 0.001 0.0034 0.0034
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0174 0.0174
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0009 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.2476 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.3039 0.3039
Loa Loa (eye worm) hypothetical protein 0.003 0.193 0.193
Brugia malayi Calcitonin receptor-like protein seb-1 0.0031 0.1967 0.1967
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.001 0.0034 0.0034
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0009 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.001 0.0034 0.0034
Plasmodium vivax hypothetical protein, conserved 0.0009 0 0.5
Brugia malayi MH2 domain containing protein 0.0073 0.5912 0.5912
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.004 0.2791 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0118 1 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.004 0.2791 0.2791
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.2711 0.2711
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0174 0.0174
Entamoeba histolytica prolyl oligopeptidase family protein 0.0009 0 0.5
Echinococcus multilocularis GPCR, family 2 0.001 0.0034 0.0034
Echinococcus multilocularis geminin 0.0104 0.8752 0.8752
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0174 0.0174
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0174 0.0174
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.004 0.2791 0.2791
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0031 0.1967 0.1967
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.004 0.2791 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0009 0 0.5
Brugia malayi prolyl oligopeptidase family protein 0.004 0.2791 0.2791
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.004 0.2791 1
Schistosoma mansoni hypothetical protein 0.001 0.0034 0.0034
Echinococcus granulosus GPCR family 2 0.001 0.0034 0.0034
Echinococcus multilocularis Dipeptidyl peptidase 9 0.004 0.2791 0.2791
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0009 0 0.5
Echinococcus granulosus geminin 0.0104 0.8752 0.8752
Entamoeba histolytica prolyl oligopeptidase family protein 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.1072 0.1072

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 86.4 % Neuroprotective effect against NMDA-induced toxicity in Sprague-Dawley rat mixed cortical neurons assessed as LDH release at 10 uM co-treated with NMDA ChEMBL. 18024137
Inhibition (binding) = 27 % Displacement of [3H]batrachotoxinin from sodium channel site 2 (unknown origin) at 10 uM relative to veratridine ChEMBL. 18024137

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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