Detailed information for compound 826712

Basic information

Technical information
  • TDR Targets ID: 826712
  • Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1 H-benzimidazole
  • MW: 272.341 | Formula: C15H13FN2S
  • H donors: 1 H acceptors: 1 LogP: 4.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CSc1nc2c([nH]1)ccc(c2)C
  • InChi: 1S/C15H13FN2S/c1-10-2-7-13-14(8-10)18-15(17-13)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)
  • InChiKey: HJDOWNODDJGPDO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-fluorophenyl)methylthio]-6-methyl-1H-benzimidazole
  • 2-[(4-fluorobenzyl)thio]-6-methyl-1H-benzimidazole
  • STOCK1S-72834
  • AIDS-122645
  • ZINC00443804
  • AIDS122645
  • 2-[(4-Fluorophenyl)methylthio]-6-methylbenzimidazole

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0165 0.0488 0.1342
Brugia malayi serine/threonine kinase 12 0.0237 0.0755 0.1852
Trypanosoma brucei polo-like protein kinase 0.0833 0.2938 1
Echinococcus multilocularis neuroglian 0.0112 0.0295 0.0053
Echinococcus granulosus twitchin 0.0119 0.0321 0.0093
Brugia malayi cytochrome P450 0.0103 0.0264 0.0019
Echinococcus multilocularis 0.0103 0.0264 0.0008
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.053
Trypanosoma cruzi aurora B kinase, putative 0.0237 0.0755 0.1836
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.053
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0237 0.0755 0.0739
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Trypanosoma cruzi cytochrome P450, putative 0.0165 0.0488 0.0839
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0103 0.0264 0.5
Schistosoma mansoni hypothetical protein 0.0103 0.0264 0.0264
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.053
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0103 0.0264 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0237 0.0755 0.1852
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0833 0.2938 1
Mycobacterium leprae Conserved hypothetical protein 0.0103 0.0264 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0165 0.0488 0.1342
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0692 0.2421 0.8172
Loa Loa (eye worm) hypothetical protein 0.0124 0.034 0.0818
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1932 0.6972 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0103 0.0264 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0103 0.0264 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0103 0.0264 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Giardia lamblia Kinase, PLK 0.0833 0.2938 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0103 0.0264 0.5
Brugia malayi Cytochrome P450 family protein 0.0165 0.0488 0.0857
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0103 0.0264 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0413 0.1399 0.4558
Brugia malayi Cytochrome P450 family protein 0.0413 0.1399 0.4254
Loa Loa (eye worm) AUR protein kinase 0.0237 0.0755 0.2284
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0103 0.0264 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0103 0.0264 0.5
Loa Loa (eye worm) CYP4Cod1 0.0165 0.0488 0.1342
Loa Loa (eye worm) hypothetical protein 0.0124 0.034 0.0818
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0237 0.0755 0.0739
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0103 0.0264 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Mycobacterium leprae putative cytochrome p450 0.0103 0.0264 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0103 0.0264 0.5
Plasmodium falciparum serine/threonine protein kinase, putative 0.0237 0.0755 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.053
Brugia malayi Cytochrome P450 family protein 0.0165 0.0488 0.0857
Loa Loa (eye worm) AUR protein kinase 0.0237 0.0755 0.2284
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0103 0.0264 0.5
Trypanosoma brucei aurora B kinase 0.0237 0.0755 0.1836
Echinococcus granulosus neuroglian 0.0112 0.0295 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0103 0.0264 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0115 0.0305 0.0068
Leishmania major cytochrome p450-like protein 0.0165 0.0488 0.0839
Echinococcus multilocularis roundabout 2 0.0124 0.034 0.0122
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0103 0.0264 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0102 0.0259 0.0259
Trichomonas vaginalis CAMK family protein kinase 0.0833 0.2938 1
Brugia malayi serine/threonine protein kinase 6 0.0237 0.0755 0.1852
Toxoplasma gondii aurora kinase 0.0237 0.0755 1
Schistosoma mansoni vesicular amine transporter 0.0102 0.0259 0.0259
Brugia malayi serine/threonine-protein kinase plk-2 0.0833 0.2938 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0692 0.2421 0.807
Trypanosoma cruzi polo-like protein kinase, putative 0.0833 0.2938 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0102 0.0259 0.0259
Schistosoma mansoni cell adhesion molecule 0.0115 0.0305 0.0305
Schistosoma mansoni protein kinase 0.0237 0.0755 0.0755
Schistosoma mansoni serine/threonine protein kinase 0.0237 0.0755 0.0755
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0103 0.0264 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0833 0.2938 0.3992
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0103 0.0264 0.5
Echinococcus granulosus roundabout 2 0.0124 0.034 0.0122
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0103 0.0264 0.5
Loa Loa (eye worm) AUR protein kinase 0.0237 0.0755 0.2284
Leishmania major protein kinase, putative 0.0237 0.0755 0.1836
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1932 0.6972 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.053
Echinococcus multilocularis aurora kinase A 0.0237 0.0755 0.0739
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.053
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0165 0.0488 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0833 0.2938 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0833 0.2938 1
Schistosoma mansoni serine/threonine protein kinase 0.0833 0.2938 0.2938
Entamoeba histolytica serine/threonine protein kinase, putative 0.0833 0.2938 1
Schistosoma mansoni cytochrome P450 0.0103 0.0264 0.0264
Brugia malayi Cytochrome P450 family protein 0.0103 0.0264 0.0019
Trypanosoma cruzi cytochrome P450, putative 0.0165 0.0488 0.0839
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0103 0.0264 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0237 0.0755 0.5
Trypanosoma brucei cytochrome P450, putative 0.0165 0.0488 0.0839
Echinococcus granulosus aurora kinase A 0.0237 0.0755 0.0739
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0833 0.2938 0.3992
Loa Loa (eye worm) hypothetical protein 0.0115 0.0305 0.0692
Schistosoma mansoni nephrin 0.0112 0.0295 0.0295
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0103 0.0264 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0103 0.0264 0.0008
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0103 0.0264 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0587 0.2037 0.0719
Loa Loa (eye worm) cytochrome P450 0.0103 0.0264 0.0548
Onchocerca volvulus Serine\/threonine kinase homolog 0.0833 0.2938 1

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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