Detailed information for compound 1082033

Basic information

Technical information
  • TDR Targets ID: 1082033
  • Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-m ethyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl ]pyrazole
  • MW: 521.868 | Formula: C28H23Cl3N4
  • H donors: 0 H acceptors: 2 LogP: 7.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)c1ncn(c1)C(c1ccccc1)(C)C
  • InChi: 1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3
  • InChiKey: IHUJIWXYFXDLJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(1-methyl-1-phenyl-ethyl)imidazol-4-yl]pyrazole
  • 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(1-methyl-1-phenylethyl)-4-imidazolyl]pyrazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cannabinoid CB1 receptor Starlite/ChEMBL References
Homo sapiens cannabinoid receptor 1 (brain) Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.4449 0.4449
Schistosoma mansoni uracil phosphoribosyltransferase 0.0021 0.0764 0.0764
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0003 0.0003
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0021 0.0764 0.0764
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0021 0.0764 0.5
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Treponema pallidum hypothetical protein 0.0021 0.0764 0.5
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0021 0.0764 0.0764
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0069 0.7177 1
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0021 0.0764 0.0764
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0764 0.106
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0003 0.0003
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Schistosoma mansoni hypothetical protein 0.0033 0.239 0.239
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.009 1 1
Onchocerca volvulus 0.009 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0003 0.0008
Brugia malayi Adenine phosphoribosyltransferase 0.0021 0.0764 0.0764
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.009 1 1
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.009 1 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0003 0.0003
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0003 0.0003
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0003 0.0003
Echinococcus granulosus adenine phosphoribosyltransferase 0.0021 0.0764 0.0764
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0069 0.7177 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0003 0.0003
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0003 0.0003
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0021 0.0764 0.106
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0003 0.0003
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Plasmodium falciparum orotate phosphoribosyltransferase 0.0021 0.0764 0.0761
Echinococcus granulosus uridine 5' monophosphate synthase 0.0021 0.0764 0.0764
Treponema pallidum adenine phosphoribosyltransferase 0.0021 0.0764 0.5
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.009 1 1
Mycobacterium tuberculosis Conserved protein 0.0021 0.0764 0.106
Brugia malayi orotate phosphoribosyltransferase family protein 0.0021 0.0764 0.0764
Toxoplasma gondii orotate phosphoribosyltransferase 0.0021 0.0764 0.0761
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0021 0.0764 0.1717
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.009 1 1
Giardia lamblia Guanine phosphoribosyltransferase 0.009 1 1
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0021 0.0764 0.0761
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0003 0.0003
Leishmania major xanthine phosphoribosyltransferase 0.009 1 1
Leishmania major adenine phosphoribosyltransferase 0.0021 0.0764 0.0761
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.009 1 1
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0021 0.0764 0.106
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.239 0.239
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.4449 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.009 1 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0021 0.0764 0.1717
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.009 1 1
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.009 1 1
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0021 0.0764 0.0764
Loa Loa (eye worm) hypothetical protein 0.0033 0.239 0.5371
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0021 0.0764 0.0764
Loa Loa (eye worm) hypothetical protein 0.0048 0.4449 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0021 0.0764 0.0764
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.4449 0.4449
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.009 1 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.009 1 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0021 0.0764 0.0761
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0021 0.0764 0.0764
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.009 1 1
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0021 0.0764 0.106
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0021 0.0764 0.106
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.009 1 1
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0021 0.0764 0.5
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0021 0.0764 0.5
Mycobacterium tuberculosis Conserved protein 0.0021 0.0764 0.106

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 0.1 nM Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay ChEMBL. 19683918
Ki (binding) = 1.8 nM Displacement of [3H]SR141716A from rat brain CB1 receptor ChEMBL. 19683918

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

1 literature reference was collected for this gene.

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