Detailed information for compound 1024424

Basic information

Technical information
  • TDR Targets ID: 1024424
  • Name: 2-chloro-5-[2-[2-methyl-1-[[4-(trifluoromethy l)phenyl]methylamino]propan-2-yl]-5-pyridin-4 -yl-1H-imidazol-4-yl]phenol
  • MW: 500.943 | Formula: C26H24ClF3N4O
  • H donors: 3 H acceptors: 3 LogP: 5.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)C(CNCc1ccc(cc1)C(F)(F)F)(C)C
  • InChi: 1S/C26H24ClF3N4O/c1-25(2,15-32-14-16-3-6-19(7-4-16)26(28,29)30)24-33-22(17-9-11-31-12-10-17)23(34-24)18-5-8-20(27)21(35)13-18/h3-13,32,35H,14-15H2,1-2H3,(H,33,34)
  • InChiKey: ITSYIVOJYRZNJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-5-[2-[1,1-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-5-(4-pyridyl)-1H-imidazol-4-yl]phenol
  • 2-chloro-5-[2-[1,1-dimethyl-2-[[4-(trifluoromethyl)benzyl]amino]ethyl]-5-(4-pyridyl)-1H-imidazol-4-yl]phenol

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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Brugia malayi Cathepsin L-like precursor 0.0017 0.0012 0.0012
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0232 0.0599
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0159 0.3673 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0522 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0736 0.1896
Onchocerca volvulus 0.0154 0.3523 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0522 1
Leishmania major cathepsin L-like protease 0.0064 0.1232 0.3332
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1232 0.3332
Loa Loa (eye worm) hypothetical protein 0.0025 0.0232 0.022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0736 0.2244
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Leishmania major malonyl-coa decarboxylase-like protein 0.0159 0.3673 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Schistosoma mansoni alpha-glucosidase 0.0142 0.3239 1
Schistosoma mansoni alpha glucosidase 0.0037 0.0522 0.1579
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1163 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0522 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.3831 0.3824
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0736 0.1896
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0878 0.2365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0736 0.2244
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0522 0.051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0736 0.1896
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0232 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0736 0.2244
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0522 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0522 0.1335
Loa Loa (eye worm) hypothetical protein 0.0406 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0522 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0012 0.0012
Leishmania major cathepsin L-like protease 0.0064 0.1232 0.3332
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Brugia malayi Cathepsin L-like precursor 0.0017 0.0012 0.0012
Brugia malayi hypothetical protein 0.0025 0.0232 0.0232
Onchocerca volvulus 0.0096 0.2038 0.5771
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.1089 0.294
Leishmania major hypothetical protein, conserved 0.0025 0.0232 0.0599
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0232 0.0599
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1163 0.3567
Leishmania major cathepsin L-like protease 0.0064 0.1232 0.3332
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0522 0.1392
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0522 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0522 0.4428
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1163 0.3567
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1163 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0522 0.0522
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0522 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0522 1
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.0406 1 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0522 0.1392
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0522 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0012 0.0012
Brugia malayi Cathepsin L-like precursor 0.0017 0.0012 0.0012
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0232 0.1906
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.3831 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0736 0.1896
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0159 0.3673 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.3831 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0522 0.1392
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1163 0.3014
Brugia malayi Cathepsin L-like precursor 0.0017 0.0012 0.0012
Trypanosoma brucei glucosidase, putative 0.0037 0.0522 0.0843
Brugia malayi hypothetical protein 0.0154 0.3523 0.3523
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1163 0.3014
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1163 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1163 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0522 0.1335
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1163 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0522 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1163 0.3144
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1232 0.3332
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.1232 0.3332
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0232 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.3523 0.3515
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0736 0.0725
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1232 0.2907
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0159 0.3673 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0232 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0012 0.0012
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0522 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0736 0.0736
Schistosoma mansoni alpha-glucosidase 0.0142 0.3239 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.3831 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1232 0.3332
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.3831 0.3831

Activities

No activities found for this compound.

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

No literature references available for this target.

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