Detailed information for compound 300064

Basic information

Technical information
  • TDR Targets ID: 300064
  • Name: 2,4,5-trimethyl-1H-benzimidazole
  • MW: 160.216 | Formula: C10H12N2
  • H donors: 1 H acceptors: 1 LogP: 2.62 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2c([nH]1)ccc(c2C)C
  • InChi: 1S/C10H12N2/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
  • InChiKey: MQOSRBNWLNRDOU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0176 0.1368 0.1279
Trichomonas vaginalis set domain proteins, putative 0.023 0.1832 0.5
Schistosoma mansoni choline o-acyltransferase 0.0176 0.1368 0.1279
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0176 0.1368 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0176 0.1368 0.1287
Loa Loa (eye worm) hypothetical protein 0.0029 0.0102 0.0022
Brugia malayi hypothetical protein 0.0026 0.0081 0.0081
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0176 0.1368 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0176 0.1368 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0176 0.1368 0.1368
Entamoeba histolytica hypothetical protein 0.0038 0.0178 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.1203 0.1131
Onchocerca volvulus 0.0317 0.2583 1
Onchocerca volvulus 0.0176 0.1368 0.5102
Echinococcus granulosus geminin 0.0178 0.1384 0.1303
Leishmania major carnitine/choline acetyltransferase, putative 0.0176 0.1368 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0176 0.1368 0.1368
Schistosoma mansoni hypothetical protein 0.0178 0.1384 0.1295
Brugia malayi hypothetical protein 0.0317 0.2583 0.2583
Leishmania major carnitine palmitoyltransferase-like protein 0.0176 0.1368 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0176 0.1368 1
Echinococcus multilocularis geminin 0.0178 0.1384 0.1295
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0932 0.0858
Loa Loa (eye worm) hypothetical protein 0.1178 1 1
Schistosoma mansoni choline o-acyltransferase 0.1178 1 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.2583 0.2523
Echinococcus multilocularis muscleblind protein 1 0.0157 0.1203 0.1112
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0102 0.0009
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0176 0.1368 0.1368
Entamoeba histolytica hypothetical protein 0.0038 0.0178 0.5
Brugia malayi Muscleblind-like protein 0.0157 0.1203 0.1203
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0102 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0176 0.1368 1
Onchocerca volvulus 0.0176 0.1368 0.5102
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0176 0.1368 1
Echinococcus granulosus choline O acetyltransferase 0.1178 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0176 0.1368 1
Loa Loa (eye worm) choline O-acetyltransferase 0.1178 1 1
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0176 0.1368 1
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0.1368 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0178 0.0086
Brugia malayi Pre-SET motif family protein 0.0029 0.0102 0.0102
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0.1368 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0102 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1203 0.1131
Onchocerca volvulus 0.0176 0.1368 0.5102
Brugia malayi Pre-SET motif family protein 0.0202 0.1591 0.1591
Brugia malayi MH2 domain containing protein 0.0125 0.0932 0.0932
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0.1368 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0081 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0178 0.5
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0176 0.1368 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1368 0.1298
Schistosoma mansoni hypothetical protein 0.0178 0.1384 0.1295
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0178 0.0076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.1591 0.1523
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0.1368 1
Echinococcus multilocularis muscleblind protein 0.0157 0.1203 0.1112
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0932 0.0858
Schistosoma mansoni hypothetical protein 0.0038 0.0178 0.0076
Echinococcus multilocularis choline O acetyltransferase 0.1178 1 1
Brugia malayi Choline O-acetyltransferase 0.1178 1 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0176 0.1368 1
Echinococcus granulosus muscleblind protein 0.0157 0.1203 0.112
Trypanosoma cruzi hypothetical protein, conserved 0.0176 0.1368 1
Onchocerca volvulus 0.0176 0.1368 0.5102
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0176 0.1368 0.1279
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0081 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0176 0.1368 0.1298
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0176 0.1368 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0178 0.0076
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0176 0.1368 1
Brugia malayi hypothetical protein 0.0038 0.0178 0.0178
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0176 0.1368 0.1287
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0176 0.1368 1
Entamoeba histolytica hypothetical protein 0.0038 0.0178 0.5
Onchocerca volvulus 0.023 0.1832 0.697
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0176 0.1368 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0176 0.1368 0.1298

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 3.6 Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. ChEMBL. 7120277
logP (ADMET) = 2.36 Partition coefficient (logP) ChEMBL. 7120277
pI50 (ADMET) = 3.6 Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. ChEMBL. 7120277

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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