Detailed information for compound 347048

Basic information

Technical information
  • TDR Targets ID: 347048
  • Name: 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluor omethyl)phenyl]-1H-imidazole-5-carboxamide
  • MW: 414.209 | Formula: C18H12Cl2F3N3O
  • H donors: 2 H acceptors: 2 LogP: 5.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c[nH]c(n1)Cc1c(Cl)cccc1Cl)Nc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27)
  • InChiKey: LPWHNQWZGPEIHM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2,6-dichlorobenzyl)-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
  • 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-3H-imidazole-4-carboxamide
  • 2-(2,6-dichlorobenzyl)-N-[4-(trifluoromethyl)phenyl]-3H-imidazole-4-carboxamide

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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0614 1 1
Schistosoma mansoni protein kinase 0.0062 0.0445 0.0445
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.053 0.8538 0.8538
Entamoeba histolytica protein kinase, putative 0.0037 0.0012 0.0012
Entamoeba histolytica protein kinase, putative 0.0037 0.0012 0.0012
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0085 0.0837 0.041
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0085 0.0837 0.0837
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0614 1 1
Schistosoma mansoni immunophilin 0.0614 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0085 0.0837 0.5
Trichomonas vaginalis immunophilin, putative 0.0614 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0085 0.0837 0.0826
Onchocerca volvulus 0.0085 0.0837 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0614 1 1
Echinococcus multilocularis 0.0085 0.0837 0.0837
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0085 0.0837 0.0837
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0432 0.0421
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0062 0.0445 0.0445
Leishmania major peptidylprolyl isomerase-like protein 0.0614 1 1
Giardia lamblia Hypothetical protein 0.0085 0.0837 0.041
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0614 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0614 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0614 1 1
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0062 0.0445 0.0445
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0614 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0614 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0085 0.0837 0.0837
Entamoeba histolytica protein kinase, putative 0.0037 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0085 0.0837 0.0837
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0085 0.0837 0.0837
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0194 0.2732 0.2732
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0614 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0614 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0085 0.0837 0.5
Schistosoma mansoni protein kinase 0.0062 0.0445 0.0445
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0085 0.0837 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0085 0.0837 0.041
Entamoeba histolytica protein kinase, putative 0.0062 0.0445 0.0445
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0614 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0614 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0614 1 1
Entamoeba histolytica p21-activated kinase 0.0062 0.0445 0.0445
Trichomonas vaginalis STE family protein kinase 0.0062 0.0445 0.0433
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0085 0.0837 0.5
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0085 0.0837 0.5
Onchocerca volvulus 0.0085 0.0837 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0837 0.0837
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0614 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0614 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0837 0.0826
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.053 0.8538 0.8538
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0614 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0614 1 1
Brugia malayi serine/threonine-protein kinase PAK 7 0.023 0.3357 0.3357
Leishmania major fk506-binding protein 1-like protein 0.0614 1 1
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0062 0.0445 0.0445
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0614 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0085 0.0837 0.0837
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0085 0.0837 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0085 0.0837 0.0837
Echinococcus multilocularis fk506 binding protein 0.0614 1 1
Loa Loa (eye worm) FKBP5 protein 0.0614 1 1
Schistosoma mansoni protein kinase 0.0037 0.0012 0.0012
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0085 0.0837 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0432 0.0432
Schistosoma mansoni immunophilin 0.053 0.8538 0.8538
Schistosoma mansoni immunophilin 0.0614 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0085 0.0837 0.0837
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0614 1 1
Trichomonas vaginalis STE family protein kinase 0.0062 0.0445 0.0433
Trichomonas vaginalis fk506 binding protein, putative 0.0085 0.0837 0.0826
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.0837 0.0837
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0085 0.0837 0.0837
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0062 0.0445 0.0445
Brugia malayi Protein kinase domain 0.0062 0.0445 0.0445
Schistosoma mansoni fk506 binding protein 0.0085 0.0837 0.0837
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0614 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0085 0.0837 0.0826
Trichomonas vaginalis STE family protein kinase 0.0062 0.0445 0.0433
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0614 1 1
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0194 0.2732 0.2732
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0085 0.0837 0.5
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0085 0.0837 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0614 1 1
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0062 0.0445 0.0445
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0085 0.0837 0.0837
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0085 0.0837 0.041
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.023 0.3357 0.3357
Echinococcus multilocularis PAK box P21 Rho binding 0.0037 0.0012 0.0012
Trichomonas vaginalis STE family protein kinase 0.0062 0.0445 0.0433
Echinococcus granulosus FK506 binding protein 2 0.0085 0.0837 0.0837
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0837 0.0826
Loa Loa (eye worm) hypothetical protein 0.053 0.8538 0.8538
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0614 1 1
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0062 0.0445 0.0445

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.23 uM Ability to block capsaicin-induced calcium influx in rat-human chimera TRPV1 expressing CHO cells ChEMBL. 16203144
IC50 (binding) = 0.23 uM Ability to block acid-induced calcium influx in rat-human chimera TRPV1 expressing CHO cells ChEMBL. 16203144

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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