Detailed information for compound 27841

Basic information

Technical information
  • TDR Targets ID: 27841
  • Name: 5,6-dichloro-1-[[3-(trifluoromethyl)phenyl]me thyl]benzimidazol-2-amine
  • MW: 360.161 | Formula: C15H10Cl2F3N3
  • H donors: 1 H acceptors: 1 LogP: 4.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc2nc(n(c2cc1Cl)Cc1cccc(c1)C(F)(F)F)N
  • InChi: 1S/C15H10Cl2F3N3/c16-10-5-12-13(6-11(10)17)23(14(21)22-12)7-8-2-1-3-9(4-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
  • InChiKey: FGILZYIHFYIIDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,6-dichloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2-benzimidazolamine
  • [5,6-dichloro-1-[3-(trifluoromethyl)benzyl]benzimidazol-2-yl]amine
  • AIDS059396
  • 5,6-Dichloro-1-[3-(trifluoromethyl)benzyl]-1H-benzimidazol-2-amine
  • AIDS-059396

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
Giardia lamblia Thymidine kinase 0.0503 1 1
Trichomonas vaginalis thymidine kinase, putative 0.0503 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0489 0.1764
Schistosoma mansoni inositol monophosphatase 0.0036 0.0298 0.0623
Leishmania major thymidine kinase, putative 0.0503 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.0142 0.2501 0.2501
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0078 0.116 0.2428
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0248 0.0991
Echinococcus multilocularis thyroid hormone receptor alpha 0.014 0.2465 0.5162
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0489 0.1024
Echinococcus multilocularis thymidine kinase 0.0251 0.4775 1
Echinococcus granulosus thymidylate kinase 0.0142 0.2501 0.5237
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0574 0.2295
Trypanosoma brucei thymidylate kinase, putative 0.0142 0.2501 0.2501
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0489 0.1955
Trypanosoma brucei RNA helicase, putative 0.0219 0.4108 0.4108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0489 0.1024
Trypanosoma cruzi thymidine kinase, putative 0.0503 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0489 0.1024
Leishmania major hypothetical protein, conserved 0.0056 0.0704 0.0704
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0034 0.0248 0.0777
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0298 0.0623
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0142 0.2501 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0574 0.2112
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0142 0.2501 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0298 0.0298
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0251 0.4775 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0034 0.0248 0.0519
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0298 0.0298
Schistosoma mansoni thymidylate kinase 0.0142 0.2501 0.5237
Echinococcus multilocularis transfer RNA-Ile 0.0251 0.4775 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0298 0.119
Onchocerca volvulus Putative thymidylate kinase 0.0142 0.2501 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0056 0.0704 0.0704
Trichomonas vaginalis thymidine kinase, putative 0.0503 1 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0056 0.0704 0.0704
Schistosoma mansoni thymidine kinase 0.0251 0.4775 1
Trichomonas vaginalis thymidine kinase, putative 0.0503 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.0142 0.2501 0.2501
Plasmodium falciparum thymidylate kinase 0.0142 0.2501 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0142 0.2501 1
Trypanosoma brucei thymidylate kinase, putative 0.0142 0.2501 0.2501
Trypanosoma cruzi thymidylate kinase, putative 0.0142 0.2501 0.2501
Brugia malayi thymidylate kinase 0.0142 0.2501 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0489 0.1024
Leishmania major thymidylate kinase-like protein 0.0142 0.2501 0.2501
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0298 0.0298
Plasmodium vivax thymidylate kinase, putative 0.0142 0.2501 1
Giardia lamblia CDC8 0.0142 0.2501 0.2501
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0298 0.0623
Schistosoma mansoni hypothetical protein 0.0053 0.0654 0.1371
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0103 0.0103
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0058 0.0233
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.2248 0.4707
Giardia lamblia Deoxynucleoside kinase 0.0389 0.7629 0.7629
Entamoeba histolytica Thymidylate kinase, putative 0.0142 0.2501 0.2271
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0298 0.119
Schistosoma mansoni hypothetical protein 0.0142 0.2501 0.5237
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0027 0.0103 0.0103
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0058 0.0058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0574 0.2295
Echinococcus multilocularis thymidine kinase 0.0251 0.4775 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0078 0.116 0.116
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0058 0.0058
Echinococcus granulosus thymidine kinase 0.0251 0.4775 1
Echinococcus multilocularis thymidylate kinase 0.0142 0.2501 0.5237
Leishmania major hypothetical protein, conserved 0.0025 0.0058 0.0058
Treponema pallidum thymidylate kinase (tmk) 0.0142 0.2501 1
Trypanosoma brucei unspecified product 0.0027 0.0103 0.0103
Loa Loa (eye worm) thymidylate kinase 0.0142 0.2501 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0489 0.1024
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0103 0.0103
Brugia malayi hypothetical protein 0.0025 0.0058 0.0233
Schistosoma mansoni thyroid hormone receptor 0.014 0.2465 0.5162
Chlamydia trachomatis thymidylate kinase 0.0142 0.2501 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0298 0.0298
Brugia malayi Inositol-1 0.0036 0.0298 0.119
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0219 0.4108 0.8603
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0298 0.0298
Trypanosoma cruzi thymidylate kinase, putative 0.0142 0.2501 0.2501
Trypanosoma brucei thymidine kinase 0.0503 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.2248 0.4707
Mycobacterium ulcerans thymidylate kinase 0.0142 0.2501 1
Echinococcus granulosus thymidine kinase 0.0251 0.4775 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0489 0.1024
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0058 0.0058
Schistosoma mansoni inositol monophosphatase 0.0036 0.0298 0.0623
Echinococcus multilocularis sodium channel protein 0.0078 0.116 0.2428
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0489 0.1024
Loa Loa (eye worm) inositol-1 0.0036 0.0298 0.098
Trypanosoma cruzi thymidine kinase, putative 0.0503 1 1
Toxoplasma gondii thymidylate kinase 0.0142 0.2501 1
Schistosoma mansoni thymidylate kinase 0.0142 0.2501 0.5237
Schistosoma mansoni thyroid hormone receptor 0.014 0.2465 0.5162
Schistosoma mansoni hypothetical protein 0.013 0.2248 0.4707
Echinococcus granulosus sodium channel protein 0.0078 0.116 0.2428
Loa Loa (eye worm) hypothetical protein 0.005 0.0574 0.2112

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 6 uM Activity against HIV-1 by syncytial plaque assay performed in duplicate using CEM-SS cells ChEMBL. 9548815
IC50 (functional) = 32 uM Antiviral activity against human cytomegalovirus(HCMV) by plaque reduction assay ChEMBL. 9548815
IC50 (functional) = 32 uM Visual cytotoxicity scored on HFF cells at a time of HCMV plaque enumeration ChEMBL. 9548815
IC50 (functional) = 32 uM Visual cytotoxicity scored on HFF cells at a time of HCMV plaque enumeration ChEMBL. 9548815
IC50 (functional) = 34 uM Cytotoxicity against CEM-SS cells in terms of incorporation of [3H]-dThd ChEMBL. 9548815
IC50 (functional) = 34 uM Cytotoxicity against CEM-SS cells in terms of incorporation of [3H]-dThd ChEMBL. 9548815
IC50 (functional) = 45 uM Inhibition of KB cell growth determined by quadruplicate assays ChEMBL. 9548815
IC50 (functional) = 45 uM Inhibition of KB cell growth determined by quadruplicate assays ChEMBL. 9548815
IC50 (functional) = 60 uM Antiviral activity against herpes simplex virus type-1 (HSV-1) ChEMBL. 9548815

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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