Detailed information for compound 655507

Basic information

Technical information
  • TDR Targets ID: 655507
  • Name: propyl 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2 -hydroxypropoxy]benzoate
  • MW: 382.453 | Formula: C22H26N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOC(=O)c1ccc(cc1)OCC(Cn1cnc2c1cc(C)c(c2)C)O
  • InChi: 1S/C22H26N2O4/c1-4-9-27-22(26)17-5-7-19(8-6-17)28-13-18(25)12-24-14-23-20-10-15(2)16(3)11-21(20)24/h5-8,10-11,14,18,25H,4,9,12-13H2,1-3H3
  • InChiKey: DIJVYBCISBRVIF-UHFFFAOYSA-N  

Network

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Synonyms

  • propyl 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate
  • 4-[3-(5,6-dimethyl-1-benzimidazolyl)-2-hydroxypropoxy]benzoic acid propyl ester
  • 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoic acid propyl ester
  • Oprea1_523004

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
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0064 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0095 0.0199 1
Trypanosoma cruzi electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0095 0.0199 0.0199
Trypanosoma cruzi squalene monooxygenase, putative 0.3884 1 1
Mycobacterium tuberculosis Probable monooxygenase (hydroxylase) 0.0095 0.0199 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.0199 1
Mycobacterium tuberculosis Monooxygenase EthA 0.0095 0.0199 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0095 0.0199 1
Mycobacterium ulcerans oxidoreductase 0.0095 0.0199 1
Mycobacterium tuberculosis Possible alanine rich dehydrogenase 0.0095 0.0199 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0064 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0055 1
Trypanosoma cruzi squalene monooxygenase, putative 0.3884 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0095 0.0199 1
Onchocerca volvulus 0.0095 0.0199 0.5
Plasmodium vivax adrenodoxin reductase, putative 0.0095 0.0199 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0095 0.0199 1
Echinococcus granulosus protoporphyrinogen oxidase 0.0095 0.0199 0.6174
Loa Loa (eye worm) hypothetical protein 0.0095 0.0199 0.5976
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Leishmania major electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0095 0.0199 0.0199
Trypanosoma cruzi electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0095 0.0199 0.0199
Trypanosoma cruzi UDP-galactopyranose mutase 0.0095 0.0199 0.0199
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.0332 1
Mycobacterium leprae Probable UDP-galactopyranose mutase Glf (UDP-galp mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0095 0.0199 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0055 0.2756
Schistosoma mansoni hypothetical protein 0.0095 0.0199 0.5976
Mycobacterium ulcerans dehydrogenase 0.0095 0.0199 1
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0095 0.0199 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0064 0.1991
Plasmodium vivax unspecified product 0.0095 0.0199 1
Loa Loa (eye worm) lethal protein 721 0.0095 0.0199 0.5976
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0095 0.0199 1
Plasmodium vivax unspecified product 0.0095 0.0199 1
Trypanosoma brucei squalene monooxygenase, putative 0.3884 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.0322 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0064 0.3225
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.0332 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Loa Loa (eye worm) acetyltransferase 0.0147 0.0332 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0055 1
Brugia malayi all-trans-13,14-dihydroretinol saturase 0.0095 0.0199 0.5976
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0095 0.0199 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0064 0.3225
Mycobacterium leprae Probable monooxygenase EthA 0.0095 0.0199 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0095 0.0199 1
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0095 0.0199 1
Plasmodium vivax unspecified product 0.0095 0.0199 1
Toxoplasma gondii electron transfer flavoprotein-ubiquinone oxidoreductase 0.0095 0.0199 1
Toxoplasma gondii hypothetical protein 0.0095 0.0199 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0095 0.0199 1
Schistosoma mansoni amine oxidase 0.0095 0.0199 0.5976
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.0332 1
Echinococcus multilocularis prenylcysteine oxidase 0.0095 0.0199 0.5976
Loa Loa (eye worm) hypothetical protein 0.0095 0.0199 0.5976
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0064 0.3225
Mycobacterium tuberculosis Cholesterol oxidase ChoD (cholesterol-O2 oxidoreductase) 0.0095 0.0199 1
Mycobacterium ulcerans monooxygenase EthA 0.0095 0.0199 1
Echinococcus granulosus prenylcysteine oxidase 0.0095 0.0199 0.6174
Mycobacterium ulcerans dehydrogenase 0.0095 0.0199 1
Toxoplasma gondii prenylcysteine oxidase 0.0095 0.0199 1
Onchocerca volvulus 0.0095 0.0199 0.5
Mycobacterium tuberculosis Unknown protein 0.0095 0.0199 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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