Detailed information for compound 569694

Basic information

Technical information
  • TDR Targets ID: 569694
  • Name: 1-methyl-2-[(1-methylbenzimidazol-2-yl)methyl ]benzimidazole
  • MW: 276.336 | Formula: C17H16N4
  • H donors: 0 H acceptors: 2 LogP: 2.95 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(nc2c1cccc2)Cc1nc2c(n1C)cccc2
  • InChi: 1S/C17H16N4/c1-20-14-9-5-3-7-12(14)18-16(20)11-17-19-13-8-4-6-10-15(13)21(17)2/h3-10H,11H2,1-2H3
  • InChiKey: NLZJPFXHUPNNEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-methyl-2-[(1-methyl-2-benzimidazolyl)methyl]benzimidazole
  • bis(1-methylbenzimidazol-2-yl)methane
  • 55514-10-8
  • 1H-Benzimidazole, 2,2'-methylenebis(1-methyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Echinococcus multilocularis geminin 0.0166 0.343 1
Echinococcus granulosus geminin 0.0166 0.343 1
Entamoeba histolytica hypothetical protein 0.0037 0.0275 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0841 0.0841
Leishmania major pteridine reductase 1 0.0026 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0 0.5
Trichomonas vaginalis hypothetical protein 0.0385 0.8816 0.5
Loa Loa (eye worm) hypothetical protein 0.0434 1 1
Trypanosoma brucei oxidoreductase-like protein 0.0026 0 0.5
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0026 0 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0224 0.0254
Entamoeba histolytica hypothetical protein 0.0037 0.0275 1
Brugia malayi Bromodomain containing protein 0.0035 0.0224 0.0224
Echinococcus multilocularis Protein lozenge 0.0054 0.0694 0.2024
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0562 0.1639
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0385 0.8816 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.219 0.6383
Brugia malayi jmjC domain containing protein 0.0043 0.0405 0.0405
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0275 0.0803
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0385 0.8816 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0405 0.1182
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0562 0.1639
Schistosoma mansoni hypothetical protein 0.0037 0.0275 0.0803
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0224 0.0652
Schistosoma mansoni hypothetical protein 0.0035 0.0224 0.0652
Giardia lamblia PHD finger protein 15 0.0035 0.0224 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.343 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0224 0.0224
Leishmania major oxidoreductase-like protein 0.0026 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0405 0.0405
Brugia malayi jmjC domain containing protein 0.0115 0.219 0.219
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0557 0.0557
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0385 0.8816 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1144 0.1144
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0026 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0385 0.8816 1
Brugia malayi PHD-finger family protein 0.0035 0.0224 0.0224
Loa Loa (eye worm) runx1 0.0054 0.0694 0.0694
Schistosoma mansoni lozenge 0.0054 0.0694 0.2024
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0224 0.0652
Plasmodium falciparum phd finger protein, putative 0.0035 0.0224 0.0254
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0026 0 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0385 0.8816 1
Onchocerca volvulus Alhambra homolog 0.0035 0.0224 0.0224
Schistosoma mansoni hypothetical protein 0.0166 0.343 1
Onchocerca volvulus 0.0434 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0224 0.0254
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0405 0.1182
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0224 0.0224
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0275 0.0803
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0405 0.1182
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0224 0.0254
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.219 0.6383
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0224 0.0652
Loa Loa (eye worm) hypothetical protein 0.0434 1 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1608 0.4688
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0557 0.0557
Entamoeba histolytica hypothetical protein 0.0037 0.0275 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0178 0.0178
Echinococcus multilocularis peregrin 0.0035 0.0224 0.0652
Loa Loa (eye worm) hypothetical protein 0.0049 0.0557 0.0557
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0385 0.8816 1
Echinococcus granulosus peregrin 0.0035 0.0224 0.0652
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0178 0.0178
Entamoeba histolytica hypothetical protein 0.0037 0.0275 1
Schistosoma mansoni hypothetical protein 0.0033 0.0178 0.052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0557 0.0557
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0275 0.0803
Trypanosoma brucei pteridine reductase 1 0.0026 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0405 0.1182
Plasmodium falciparum enoyl-acyl carrier reductase 0.0385 0.8816 1
Brugia malayi hypothetical protein 0.0037 0.0275 0.0275
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0385 0.8816 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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